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

C12H16N2O3S — CID 103791308

IUPAC1-[[(2-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCc1ncc(C(=O)NCC2(C(=O)O)CCCC2)s1
InChIInChI=1S/C12H16N2O3S/c1-8-13-6-9(18-8)10(15)14-7-12(11(16)17)4-2-3-5-12/h6H,2-5,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyMDUCEGOYUFLZLQ-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.83
Rot. Bonds4

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

1-[[(2-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 103791308) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-[[(2-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID103791308
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name1-[[(2-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCc1ncc(C(=O)NCC2(C(=O)O)CCCC2)s1
InChIInChI=1S/C12H16N2O3S/c1-8-13-6-9(18-8)10(15)14-7-12(11(16)17)4-2-3-5-12/h6H,2-5,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyMDUCEGOYUFLZLQ-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 113240320
1-[[(5-methylthiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362670
N-[(4-hydroxyoxan-4-yl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103712065
N-[1-(hydroxymethyl)cyclobutyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103881158
1-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115432875
1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362499
1-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435889
1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclooctane-1-carboxylic acid
CID 80610832
1-[[(4,5-dibromothiophene-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309059
1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443407
2-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-5-carboxamide
CID 111331213
1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361803

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(2-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 103791308) is 1-[[(2-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is Cc1ncc(C(=O)NCC2(C(=O)O)CCCC2)s1.
What is the InChIKey of 1-[[(2-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is MDUCEGOYUFLZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-8-13-6-9(18-8)10(15)14-7-12(11(16)17)4-2-3-5-12/h6H,2-5,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 1-[[(2-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
1-[[(2-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103791308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).