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

C10H14N2O2S — CID 9154876

IUPAC2-[2-(cyclopentylamino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC2CCCC2)n1
InChIInChI=1S/C10H14N2O2S/c13-9(14)5-8-6-15-10(12-8)11-7-3-1-2-4-7/h6-7H,1-5H2,(H,11,12)(H,13,14)
InChIKeySDSUXMSGXNNGCR-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.12
Rot. Bonds4

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

2-[2-(cyclopentylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 9154876) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-[2-(cyclopentylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(cyclopentylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID9154876
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-[2-(cyclopentylamino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC2CCCC2)n1
InChIInChI=1S/C10H14N2O2S/c13-9(14)5-8-6-15-10(12-8)11-7-3-1-2-4-7/h6-7H,1-5H2,(H,11,12)(H,13,14)
InChIKeySDSUXMSGXNNGCR-UHFFFAOYSA-N
XLogP2.12
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(cyclopentylmethylamino)-1,3-thiazol-4-yl]acetic acid
CID 80574969
2-[2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80576470
4-(2-aminoethyl)-N-cyclopentyl-1,3-thiazol-2-amine
CID 28710824
2-[2-(oxane-2-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 62212778
3-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486023
2-(2-cyclopentyl-1,3-thiazol-4-yl)acetic acid
CID 60922034
ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate
CID 103485947
2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
CID 64988064
4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid
CID 87593845
methyl 2-[2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80574702
2-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 11286886
2-[2-(3-ethylpentan-3-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 80576122

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(cyclopentylamino)-1,3-thiazol-4-yl]acetic acid (CID 9154876) is 2-[2-(cyclopentylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(cyclopentylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(cyclopentylamino)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NC2CCCC2)n1.
What is the InChIKey of 2-[2-(cyclopentylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is SDSUXMSGXNNGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c13-9(14)5-8-6-15-10(12-8)11-7-3-1-2-4-7/h6-7H,1-5H2,(H,11,12)(H,13,14).
What are the key properties of 2-[2-(cyclopentylamino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(cyclopentylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 226.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 9154876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).