1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C12H16N2O3S — CID 43529717

IUPAC1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCc1csc(NC(=O)CC2(C(=O)O)CCCC2)n1
InChIInChI=1S/C12H16N2O3S/c1-8-7-18-11(13-8)14-9(15)6-12(10(16)17)4-2-3-5-12/h7H,2-6H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyCAUPXUCLDDLSGF-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.43
Rot. Bonds4

About 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 43529717) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID43529717
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCc1csc(NC(=O)CC2(C(=O)O)CCCC2)n1
InChIInChI=1S/C12H16N2O3S/c1-8-7-18-11(13-8)14-9(15)6-12(10(16)17)4-2-3-5-12/h7H,2-6H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyCAUPXUCLDDLSGF-UHFFFAOYSA-N
XLogP2.43
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 43529717) is 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is Cc1csc(NC(=O)CC2(C(=O)O)CCCC2)n1.
What is the InChIKey of 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is CAUPXUCLDDLSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-8-7-18-11(13-8)14-9(15)6-12(10(16)17)4-2-3-5-12/h7H,2-6H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43529717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).