4-butyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylic acid

C14H15N3O3S — CID 82226417

IUPAC4-butyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylic acid
SMILESCCCCc1nc(NC(=O)c2ccncc2)sc1C(=O)O
InChIInChI=1S/C14H15N3O3S/c1-2-3-4-10-11(13(19)20)21-14(16-10)17-12(18)9-5-7-15-8-6-9/h5-8H,2-4H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyHXQYIXUBMYSLMX-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.83
Rot. Bonds6

About 4-butyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylic acid

4-butyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 82226417) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-butyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-butyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID82226417
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-butyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylic acid
SMILESCCCCc1nc(NC(=O)c2ccncc2)sc1C(=O)O
InChIInChI=1S/C14H15N3O3S/c1-2-3-4-10-11(13(19)20)21-14(16-10)17-12(18)9-5-7-15-8-6-9/h5-8H,2-4H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyHXQYIXUBMYSLMX-UHFFFAOYSA-N
XLogP2.83
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2-methoxy-2-oxoethyl)-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate
CID 52898188
N-[4-butyl-5-(2-nitro-1-phenylethyl)-1,3-thiazol-2-yl]benzamide
CID 174704387
4-propyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxylic acid
CID 82226400
2-[4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazol-5-yl]butanoic acid
CID 175445170
N-(5-amino-4-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 82342465
4-butyl-2-(chloromethyl)-1,3-thiazole-5-carboxylic acid
CID 19885510
2-methylpropyl 4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate
CID 110444825
N-[4-butyl-5-[1-(4-chlorophenyl)-2-nitroethyl]-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 175388617
ethyl 5-amino-2-(pyridine-4-carbonylamino)-1,3-thiazole-4-carboxylate
CID 82342569
2-[(3-fluorobenzoyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 94970466
N-(4-chlorophenyl)-4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide
CID 1468155
N-butylpyridine-4-carboxamide
CID 5030535

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-butyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylic acid (CID 82226417) is 4-butyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-butyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-butyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylic acid is CCCCc1nc(NC(=O)c2ccncc2)sc1C(=O)O.
What is the InChIKey of 4-butyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is HXQYIXUBMYSLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-2-3-4-10-11(13(19)20)21-14(16-10)17-12(18)9-5-7-15-8-6-9/h5-8H,2-4H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 4-butyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylic acid?
4-butyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82226417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).