5-[(2-methylcyclopentyl)methylamino]-1,3-thiazole-4-carboxylic acid

C11H16N2O2S — CID 107420798

IUPAC5-[(2-methylcyclopentyl)methylamino]-1,3-thiazole-4-carboxylic acid
SMILESCC1CCCC1CNc1scnc1C(=O)O
InChIInChI=1S/C11H16N2O2S/c1-7-3-2-4-8(7)5-12-10-9(11(14)15)13-6-16-10/h6-8,12H,2-5H2,1H3,(H,14,15)
InChIKeySBLVRLZPKZLRNW-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.69
Rot. Bonds4

About 5-[(2-methylcyclopentyl)methylamino]-1,3-thiazole-4-carboxylic acid

5-[(2-methylcyclopentyl)methylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 107420798) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 5-[(2-methylcyclopentyl)methylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylcyclopentyl)methylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID107420798
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name5-[(2-methylcyclopentyl)methylamino]-1,3-thiazole-4-carboxylic acid
SMILESCC1CCCC1CNc1scnc1C(=O)O
InChIInChI=1S/C11H16N2O2S/c1-7-3-2-4-8(7)5-12-10-9(11(14)15)13-6-16-10/h6-8,12H,2-5H2,1H3,(H,14,15)
InChIKeySBLVRLZPKZLRNW-UHFFFAOYSA-N
XLogP2.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 64629675
5-(oxan-3-ylmethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631917
5-[(2-methylcyclobutyl)amino]-1,3-thiazole-4-carboxylic acid
CID 130556460
4-methyl-2-[(2-methylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid
CID 107418984
5-acetyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 106697130
4-[[(2-methylcyclopentyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 107419483
5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
CID 114047478
5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
CID 114034559
5-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazole-2-carboxylic acid
CID 114267579
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxylic acid
CID 63511863
5-[(1-ethylcyclopentyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 114126141
3,5-difluoro-4-[(2-methylcyclopentyl)methylamino]benzoic acid
CID 107418977

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylcyclopentyl)methylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(2-methylcyclopentyl)methylamino]-1,3-thiazole-4-carboxylic acid (CID 107420798) is 5-[(2-methylcyclopentyl)methylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2-methylcyclopentyl)methylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(2-methylcyclopentyl)methylamino]-1,3-thiazole-4-carboxylic acid is CC1CCCC1CNc1scnc1C(=O)O.
What is the InChIKey of 5-[(2-methylcyclopentyl)methylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is SBLVRLZPKZLRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-7-3-2-4-8(7)5-12-10-9(11(14)15)13-6-16-10/h6-8,12H,2-5H2,1H3,(H,14,15).
What are the key properties of 5-[(2-methylcyclopentyl)methylamino]-1,3-thiazole-4-carboxylic acid?
5-[(2-methylcyclopentyl)methylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 240.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylcyclopentyl)methylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 107420798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).