1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid

C12H16N2O3S — CID 43169429

IUPAC1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1nc(C)c(C(=O)NC2(C(=O)O)CCCC2)s1
InChIInChI=1S/C12H16N2O3S/c1-7-9(18-8(2)13-7)10(15)14-12(11(16)17)5-3-4-6-12/h3-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeySRCUEGAADJUPOC-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.89
Rot. Bonds3

About 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43169429) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID43169429
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1nc(C)c(C(=O)NC2(C(=O)O)CCCC2)s1
InChIInChI=1S/C12H16N2O3S/c1-7-9(18-8(2)13-7)10(15)14-12(11(16)17)5-3-4-6-12/h3-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeySRCUEGAADJUPOC-UHFFFAOYSA-N
XLogP1.89
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 43169429) is 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid is Cc1nc(C)c(C(=O)NC2(C(=O)O)CCCC2)s1.
What is the InChIKey of 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is SRCUEGAADJUPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-7-9(18-8(2)13-7)10(15)14-12(11(16)17)5-3-4-6-12/h3-6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43169429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).