1-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid

C13H12N2O3S2 — CID 81158334

IUPAC1-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1csc(-c2cccs2)n1
InChIInChI=1S/C13H12N2O3S2/c16-10(15-13(12(17)18)4-2-5-13)8-7-20-11(14-8)9-3-1-6-19-9/h1,3,6-7H,2,4-5H2,(H,15,16)(H,17,18)
InChIKeyYVVCTCCFIORAMD-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.61
Rot. Bonds4

About 1-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid

1-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81158334) has the molecular formula C13H12N2O3S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81158334
Molecular FormulaC13H12N2O3S2
Molecular Weight308.38 g/mol
Exact Mass308.03
IUPAC Name1-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1csc(-c2cccs2)n1
InChIInChI=1S/C13H12N2O3S2/c16-10(15-13(12(17)18)4-2-5-13)8-7-20-11(14-8)9-3-1-6-19-9/h1,3,6-7H,2,4-5H2,(H,15,16)(H,17,18)
InChIKeyYVVCTCCFIORAMD-UHFFFAOYSA-N
XLogP2.61
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

1-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81157567
N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 103954321
1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid
CID 116891023
1-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65451578
1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119350659
1-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid
CID 66377481
N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119630453
1-[methyl-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539913
1-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81161359
N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55536744
N-(3,3-dimethylcyclopentyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 114550416
N-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9043733

Frequently Asked Questions

What is the IUPAC name of 1-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 81158334) is 1-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid is O=C(NC1(C(=O)O)CCC1)c1csc(-c2cccs2)n1.
What is the InChIKey of 1-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is YVVCTCCFIORAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S2/c16-10(15-13(12(17)18)4-2-5-13)8-7-20-11(14-8)9-3-1-6-19-9/h1,3,6-7H,2,4-5H2,(H,15,16)(H,17,18).
What are the key properties of 1-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 308.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81158334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).