1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid

C11H14N2O3S — CID 43162961

IUPAC1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ncsc1C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H14N2O3S/c1-7-8(17-6-12-7)9(14)13-11(10(15)16)4-2-3-5-11/h6H,2-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyQKKLLDBNEVHJKW-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.58
Rot. Bonds3

About 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43162961) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID43162961
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ncsc1C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C11H14N2O3S/c1-7-8(17-6-12-7)9(14)13-11(10(15)16)4-2-3-5-11/h6H,2-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyQKKLLDBNEVHJKW-UHFFFAOYSA-N
XLogP1.58
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate
CID 47240129
1-[(2-Butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 72048210
(2S)-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid
CID 97337438
3,3,3-Trifluoro-2-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 79795820
2-[[4-(Trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid
CID 84557901
4-Methyl-2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid
CID 84557966
2-[[4-(Trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid
CID 84558096
3-Methyl-2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid
CID 84558174
2-[(2-Cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-fluoropropanoic acid
CID 121945536
2-[(4-Methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 18073177
(2R)-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 28164811
(2S)-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 28164813

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 43162961) is 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid is Cc1ncsc1C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is QKKLLDBNEVHJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-7-8(17-6-12-7)9(14)13-11(10(15)16)4-2-3-5-11/h6H,2-5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43162961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).