2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]acetic acid

C11H16N2O2S — CID 80574969

IUPAC2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NCC2CCCC2)n1
InChIInChI=1S/C11H16N2O2S/c14-10(15)5-9-7-16-11(13-9)12-6-8-3-1-2-4-8/h7-8H,1-6H2,(H,12,13)(H,14,15)
InChIKeyXXRFPOMAFALYLP-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.37
Rot. Bonds5

About 2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]acetic acid

2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 80574969) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID80574969
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NCC2CCCC2)n1
InChIInChI=1S/C11H16N2O2S/c14-10(15)5-9-7-16-11(13-9)12-6-8-3-1-2-4-8/h7-8H,1-6H2,(H,12,13)(H,14,15)
InChIKeyXXRFPOMAFALYLP-UHFFFAOYSA-N
XLogP2.37
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575405
2-[2-(cyclopentylamino)-1,3-thiazol-4-yl]acetic acid
CID 9154876
2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 113369903
4-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525743
4-chloro-N-(cyclopentylmethyl)-1,3-thiazol-2-amine
CID 83152879
2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
CID 64988064
2-[2-(oxane-2-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 62212778
2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid
CID 16642038
2-[2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80576470
2-(2-cyclopentyl-1,3-thiazol-4-yl)acetic acid
CID 60922034
N-[(4-chlorocyclohexyl)methyl]-4-ethyl-1,3-thiazol-2-amine
CID 106125836
3-[2-[(3-methylcyclopentyl)methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 107415776

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]acetic acid (CID 80574969) is 2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NCC2CCCC2)n1.
What is the InChIKey of 2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is XXRFPOMAFALYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c14-10(15)5-9-7-16-11(13-9)12-6-8-3-1-2-4-8/h7-8H,1-6H2,(H,12,13)(H,14,15).
What are the key properties of 2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 240.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 80574969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).