2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid

C15H22N2O3S — CID 114390772

IUPAC2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCc1nc(C)c(C(C)NC(=O)C2CC(C)CC2C(=O)O)s1
InChIInChI=1S/C15H22N2O3S/c1-7-5-11(12(6-7)15(19)20)14(18)17-9(3)13-8(2)16-10(4)21-13/h7,9,11-12H,5-6H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyKQCHPDTWCIWYEL-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.68
Rot. Bonds4

About 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid

2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114390772) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID114390772
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCc1nc(C)c(C(C)NC(=O)C2CC(C)CC2C(=O)O)s1
InChIInChI=1S/C15H22N2O3S/c1-7-5-11(12(6-7)15(19)20)14(18)17-9(3)13-8(2)16-10(4)21-13/h7,9,11-12H,5-6H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyKQCHPDTWCIWYEL-UHFFFAOYSA-N
XLogP2.68
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropanecarboxamide
CID 47317373
2-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119184523
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66258317
(2S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxamide
CID 61193687
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-oxopropanoic acid
CID 62232141
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 61214522
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976019
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76888120
1-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide
CID 81172876
4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid
CID 79531995
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 171132761
4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 104919786

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 114390772) is 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid is Cc1nc(C)c(C(C)NC(=O)C2CC(C)CC2C(=O)O)s1.
What is the InChIKey of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is KQCHPDTWCIWYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-7-5-11(12(6-7)15(19)20)14(18)17-9(3)13-8(2)16-10(4)21-13/h7,9,11-12H,5-6H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid?
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 310.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114390772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).