2-Amino-4-(trifluoromethyl)thiazole - CAS 349-49-5
Catalog: |
BB022367 |
Product Name: |
2-Amino-4-(trifluoromethyl)thiazole |
CAS: |
349-49-5 |
Synonyms: |
4-(trifluoromethyl)-2-thiazolamine; 4-(trifluoromethyl)-1,3-thiazol-2-amine |
IUPAC Name: | 4-(trifluoromethyl)-1,3-thiazol-2-amine |
Description: | 4-(Trifluoromethyl)-2-thiazolamine can be used to prepare phenethylthiazolylthiourea analogs as HIV-1 reverse transcriptase inhibitors. 4-(Trifluoromethyl)-2-thiazolamine can also be used to synthesize 2-amino benzamide derivatives as allosteric glucokinase activators. |
Molecular Weight: | 168.14 |
Molecular Formula: | C4H3F3N2S |
Canonical SMILES: | C1=C(N=C(S1)N)C(F)(F)F |
InChI: | InChI=1S/C4H3F3N2S/c5-4(6,7)2-1-10-3(8)9-2/h1H,(H2,8,9) |
InChI Key: | OVMGTNMCYLZGLS-UHFFFAOYSA-N |
Boiling Point: | 214 °C at 760 mmHg |
Density: | 1.557 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00832759 |
LogP: | 2.32530 |
GHS Hazard Statement: | H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021154966-A1 | Compounds and compositions for use in treating skin disorders | 20200129 |
US-2021300912-A1 | Aryl hydrocarbon receptor (ahr) agonists and uses thereof | 20191220 |
WO-2021127302-A1 | 2-(1h-indole-3-carbonyl)-thiazole-4-carboxamide derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders | 20191220 |
US-2021188874-A1 | Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use | 20191125 |
US-2021221824-A1 | Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use | 20191125 |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.99690376 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.99690376 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 67.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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