4-Thiazolemethanamine - CAS 16188-30-0
Catalog: |
BB011795 |
Product Name: |
4-Thiazolemethanamine |
CAS: |
16188-30-0 |
Synonyms: |
4-thiazolylmethanamine; 1,3-thiazol-4-ylmethanamine |
IUPAC Name: | 1,3-thiazol-4-ylmethanamine |
Description: | 4-Thiazolemethanamine (CAS# 16188-30-0) is used as a reactant in the preparation of quinazoline antifolate thymidylate synthase inhibitors via replacement of glutamic acid. |
Molecular Weight: | 114.17 |
Molecular Formula: | C4H6N2S |
Canonical SMILES: | C1=C(N=CS1)CN |
InChI: | InChI=1S/C4H6N2S/c5-1-4-2-7-3-6-4/h2-3H,1,5H2 |
InChI Key: | YFEQTUUFQKDATK-UHFFFAOYSA-N |
Boiling Point: | 220.6 °C at 760 mmHg |
Density: | 1.239 g/cm3 |
LogP: | 1.30210 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021122513-A1 | Composition for lice control | 20191216 |
US-2021015829-A1 | Cyclic trex1 inhibitors | 20190408 |
WO-2020123674-A1 | Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same | 20181212 |
TW-202035359-A | Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same | 20181212 |
EP-3893645-A1 | Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same | 20181212 |
Complexity: | 57.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 114.02516937 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 114.02516937 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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Related Functional Groups
Oxazole/Thiazole
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