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

C15H14N2O3S — CID 82226544

IUPAC2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(NC(=O)C2CCC2)nc1-c1ccccc1
InChIInChI=1S/C15H14N2O3S/c18-13(10-7-4-8-10)17-15-16-11(12(21-15)14(19)20)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,19,20)(H,16,17,18)
InChIKeyJJRJYHIGYAKFOH-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.25
Rot. Bonds4

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

2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid (PubChem CID 82226544) has the molecular formula C15H14N2O3S and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid
PubChem CID82226544
Molecular FormulaC15H14N2O3S
Molecular Weight302.35 g/mol
Exact Mass302.07
IUPAC Name2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(NC(=O)C2CCC2)nc1-c1ccccc1
InChIInChI=1S/C15H14N2O3S/c18-13(10-7-4-8-10)17-15-16-11(12(21-15)14(19)20)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,19,20)(H,16,17,18)
InChIKeyJJRJYHIGYAKFOH-UHFFFAOYSA-N
XLogP3.25
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclobutanecarbonylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82226600
4-(4-aminophenyl)-2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylic acid
CID 94970522
N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 2427902
2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 94970422
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
(3R)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 94132307
N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 39001874
1-(benzenesulfonyl)-N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 16828928
1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6464404
[5-[2-(carboxyamino)-4-phenyl-1,3-thiazole-5-carbonyl]-4-phenyl-1,3-thiazol-2-yl]carbamic acid
CID 87663118
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826116

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid (CID 82226544) is 2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(NC(=O)C2CCC2)nc1-c1ccccc1.
What is the InChIKey of 2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is JJRJYHIGYAKFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-13(10-7-4-8-10)17-15-16-11(12(21-15)14(19)20)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,19,20)(H,16,17,18).
What are the key properties of 2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid?
2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 302.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82226544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).