(2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate

C16H12N2O2S — CID 7478095

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate
SMILESO=C(OCc1csc(-c2ccccc2)n1)c1ccncc1
InChIInChI=1S/C16H12N2O2S/c19-16(13-6-8-17-9-7-13)20-10-14-11-21-15(18-14)12-4-2-1-3-5-12/h1-9,11H,10H2
InChIKeyOJVQACKUIZHHKI-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.56
Rot. Bonds4

About (2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate

(2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate (PubChem CID 7478095) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate
PubChem CID7478095
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate
SMILESO=C(OCc1csc(-c2ccccc2)n1)c1ccncc1
InChIInChI=1S/C16H12N2O2S/c19-16(13-6-8-17-9-7-13)20-10-14-11-21-15(18-14)12-4-2-1-3-5-12/h1-9,11H,10H2
InChIKeyOJVQACKUIZHHKI-UHFFFAOYSA-N
XLogP3.56
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-phenyl-1,3-thiazol-4-yl)methyl 3,4-difluorobenzoate
CID 30305825
(2-phenyl-1,3-thiazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 4857964
(2-phenyl-1,3-thiazol-4-yl)methyl 3-(trifluoromethyl)benzoate
CID 7860078
(2-phenyl-1,3-thiazol-4-yl)methyl anthracene-9-carboxylate
CID 7786495
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl pyridine-4-carboxylate
CID 7783579
(2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7416076
(2-phenyl-1,3-thiazol-4-yl)methyl 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 8763058
(2-phenyl-1,3-thiazol-4-yl)methyl 3-methyl-4-nitrobenzoate
CID 8629207
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3,5-dimethylbenzoate
CID 7749255
O-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]hydroxylamine
CID 39241502
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate
CID 55327358
(2-phenyl-1,3-thiazol-4-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 2482716

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate (CID 7478095) is (2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate is O=C(OCc1csc(-c2ccccc2)n1)c1ccncc1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate?
The InChIKey is OJVQACKUIZHHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S/c19-16(13-6-8-17-9-7-13)20-10-14-11-21-15(18-14)12-4-2-1-3-5-12/h1-9,11H,10H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate?
(2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate has a molecular weight of 296.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate is sourced from PubChem (CID 7478095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).