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

C15H15N3O3S — CID 94970522

IUPAC4-(4-aminophenyl)-2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylic acid
SMILESNc1ccc(-c2nc(NC(=O)C3CCC3)sc2C(=O)O)cc1
InChIInChI=1S/C15H15N3O3S/c16-10-6-4-8(5-7-10)11-12(14(20)21)22-15(17-11)18-13(19)9-2-1-3-9/h4-7,9H,1-3,16H2,(H,20,21)(H,17,18,19)
InChIKeyGBOKMSHBTCVTHD-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.83
Rot. Bonds4

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

4-(4-aminophenyl)-2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 94970522) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-aminophenyl)-2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID94970522
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name4-(4-aminophenyl)-2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylic acid
SMILESNc1ccc(-c2nc(NC(=O)C3CCC3)sc2C(=O)O)cc1
InChIInChI=1S/C15H15N3O3S/c16-10-6-4-8(5-7-10)11-12(14(20)21)22-15(17-11)18-13(19)9-2-1-3-9/h4-7,9H,1-3,16H2,(H,20,21)(H,17,18,19)
InChIKeyGBOKMSHBTCVTHD-UHFFFAOYSA-N
XLogP2.83
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 82226544
2-(cyclobutanecarbonylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82226600
2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 94970422
N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 2427902
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
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 2677955
N-[4-(4-tert-butylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 22282337
(3R)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 94132307
1-(benzenesulfonyl)-N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 16828928
N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 39001874
1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6464404

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(4-aminophenyl)-2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylic acid (CID 94970522) is 4-(4-aminophenyl)-2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(4-aminophenyl)-2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(4-aminophenyl)-2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylic acid is Nc1ccc(-c2nc(NC(=O)C3CCC3)sc2C(=O)O)cc1.
What is the InChIKey of 4-(4-aminophenyl)-2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is GBOKMSHBTCVTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c16-10-6-4-8(5-7-10)11-12(14(20)21)22-15(17-11)18-13(19)9-2-1-3-9/h4-7,9H,1-3,16H2,(H,20,21)(H,17,18,19).
What are the key properties of 4-(4-aminophenyl)-2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylic acid?
4-(4-aminophenyl)-2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 317.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 94970522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).