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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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).