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

C16H13N3O2S — CID 2097661

IUPAC(2-anilino-1,3-thiazol-4-yl)methyl pyridine-3-carboxylate
SMILESO=C(OCc1csc(Nc2ccccc2)n1)c1cccnc1
InChIInChI=1S/C16H13N3O2S/c20-15(12-5-4-8-17-9-12)21-10-14-11-22-16(19-14)18-13-6-2-1-3-7-13/h1-9,11H,10H2,(H,18,19)
InChIKeyRDENAKGLTMDFNU-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.64
Rot. Bonds5

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

(2-anilino-1,3-thiazol-4-yl)methyl pyridine-3-carboxylate (PubChem CID 2097661) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is (2-anilino-1,3-thiazol-4-yl)methyl pyridine-3-carboxylate.

Molecular Properties

Compound Name(2-anilino-1,3-thiazol-4-yl)methyl pyridine-3-carboxylate
PubChem CID2097661
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name(2-anilino-1,3-thiazol-4-yl)methyl pyridine-3-carboxylate
SMILESO=C(OCc1csc(Nc2ccccc2)n1)c1cccnc1
InChIInChI=1S/C16H13N3O2S/c20-15(12-5-4-8-17-9-12)21-10-14-11-22-16(19-14)18-13-6-2-1-3-7-13/h1-9,11H,10H2,(H,18,19)
InChIKeyRDENAKGLTMDFNU-UHFFFAOYSA-N
XLogP3.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-O-[(2-anilino-1,3-thiazol-4-yl)methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505350
(2-anilino-1,3-thiazol-4-yl)methyl 4-(phenylsulfamoyl)benzoate
CID 25044147
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl pyridine-4-carboxylate
CID 7378421
(2-anilino-1,3-thiazol-4-yl)methyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 55491145
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-bromobenzoate
CID 7662860
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 4-(hydroxymethyl)benzoate
CID 7990685
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-nitrobenzoate
CID 7866099
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 4-formylbenzoate
CID 7966447
[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213
ethyl 4-[[2-(2-anilino-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 30940427
CID 51031907
CID 51031907
(2-anilino-1,3-thiazol-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate
CID 23734568

Frequently Asked Questions

What is the IUPAC name of (2-anilino-1,3-thiazol-4-yl)methyl pyridine-3-carboxylate?
The IUPAC name of (2-anilino-1,3-thiazol-4-yl)methyl pyridine-3-carboxylate (CID 2097661) is (2-anilino-1,3-thiazol-4-yl)methyl pyridine-3-carboxylate.
What is the SMILES notation for (2-anilino-1,3-thiazol-4-yl)methyl pyridine-3-carboxylate?
The canonical SMILES for (2-anilino-1,3-thiazol-4-yl)methyl pyridine-3-carboxylate is O=C(OCc1csc(Nc2ccccc2)n1)c1cccnc1.
What is the InChIKey of (2-anilino-1,3-thiazol-4-yl)methyl pyridine-3-carboxylate?
The InChIKey is RDENAKGLTMDFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c20-15(12-5-4-8-17-9-12)21-10-14-11-22-16(19-14)18-13-6-2-1-3-7-13/h1-9,11H,10H2,(H,18,19).
What are the key properties of (2-anilino-1,3-thiazol-4-yl)methyl pyridine-3-carboxylate?
(2-anilino-1,3-thiazol-4-yl)methyl pyridine-3-carboxylate has a molecular weight of 311.37 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-1,3-thiazol-4-yl)methyl pyridine-3-carboxylate is sourced from PubChem (CID 2097661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).