2-(cyclobutanecarbonylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid

C14H13N3O3S — CID 82226600

IUPAC2-(cyclobutanecarbonylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(NC(=O)C2CCC2)nc1-c1ccncc1
InChIInChI=1S/C14H13N3O3S/c18-12(9-2-1-3-9)17-14-16-10(11(21-14)13(19)20)8-4-6-15-7-5-8/h4-7,9H,1-3H2,(H,19,20)(H,16,17,18)
InChIKeyQWJQDBZUANEFLS-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.64
Rot. Bonds4

About 2-(cyclobutanecarbonylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid

2-(cyclobutanecarbonylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 82226600) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-(cyclobutanecarbonylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(cyclobutanecarbonylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
PubChem CID82226600
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name2-(cyclobutanecarbonylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(NC(=O)C2CCC2)nc1-c1ccncc1
InChIInChI=1S/C14H13N3O3S/c18-12(9-2-1-3-9)17-14-16-10(11(21-14)13(19)20)8-4-6-15-7-5-8/h4-7,9H,1-3H2,(H,19,20)(H,16,17,18)
InChIKeyQWJQDBZUANEFLS-UHFFFAOYSA-N
XLogP2.64
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 82226544
4-(4-aminophenyl)-2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylic acid
CID 94970522
2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 94970422
2-(2,2-dimethylpropanoylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82226596
N-[4-(4-tert-butylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 22282337
N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 2427902
2-[(2-methoxyacetyl)amino]-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82226599
ethyl 2-(cyclohexanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 3417747
N-(5-cyano-4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 87301470
4-pyridin-4-yl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
CID 82227656
(3R)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 94132307
N-(5,6-dipyridin-4-yl-2-pyridinyl)cyclopropanecarboxamide
CID 46880510

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutanecarbonylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(cyclobutanecarbonylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid (CID 82226600) is 2-(cyclobutanecarbonylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(cyclobutanecarbonylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(cyclobutanecarbonylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(NC(=O)C2CCC2)nc1-c1ccncc1.
What is the InChIKey of 2-(cyclobutanecarbonylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is QWJQDBZUANEFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c18-12(9-2-1-3-9)17-14-16-10(11(21-14)13(19)20)8-4-6-15-7-5-8/h4-7,9H,1-3H2,(H,19,20)(H,16,17,18).
What are the key properties of 2-(cyclobutanecarbonylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid?
2-(cyclobutanecarbonylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutanecarbonylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82226600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).