2-(1-Boc-4-piperidyl)thiazole-4-carboxylic Acid - CAS 365413-00-9
Catalog: |
BB022995 |
Product Name: |
2-(1-Boc-4-piperidyl)thiazole-4-carboxylic Acid |
CAS: |
365413-00-9 |
Synonyms: |
2-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-4-thiazolecarboxylic acid; 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid |
IUPAC Name: | 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxylic acid |
Description: | 2-(1-Boc-4-piperidyl)thiazole-4-carboxylic Acid (CAS# 365413-00-9 ) is a useful research chemical. |
Molecular Weight: | 312.38 |
Molecular Formula: | C14H20N2O4S |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)O |
InChI: | InChI=1S/C14H20N2O4S/c1-14(2,3)20-13(19)16-6-4-9(5-7-16)11-15-10(8-21-11)12(17)18/h8-9H,4-7H2,1-3H3,(H,17,18) |
InChI Key: | KIRRXZPLONWSFO-UHFFFAOYSA-N |
LogP: | 2.89370 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019048988-A1 | NOVEL FUNGICIDE HETEROCYCLIC COMPOUNDS | 20170908 |
WO-2018193387-A1 | Heterocyclic compounds with microbiocidal properties | 20170419 |
AU-2017305392-A1 | Oxymethylene aryl compounds for treating inflammatory gastrointestinal diseases or gastrointestinal conditions | 20160803 |
EP-3493807-A1 | Oxymethylene aryl compounds for treating inflammatory gastrointestinal diseases or gastrointestinal conditions | 20160803 |
JP-2019527693-A | Oxymethylene aryl compounds for treating inflammatory gastrointestinal diseases or gastrointestinal conditions | 20160803 |
Complexity: | 402 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 312.11437830 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 312.11437830 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 108 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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