2-[3-(1,3-thiazol-2-ylamino)cyclopentyl]acetic acid

C10H14N2O2S — CID 130978931

IUPAC2-[3-(1,3-thiazol-2-ylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1CCC(Nc2nccs2)C1
InChIInChI=1S/C10H14N2O2S/c13-9(14)6-7-1-2-8(5-7)12-10-11-3-4-15-10/h3-4,7-8H,1-2,5-6H2,(H,11,12)(H,13,14)
InChIKeyPETCHIRHJAFSSA-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.20
Rot. Bonds4

About 2-[3-(1,3-thiazol-2-ylamino)cyclopentyl]acetic acid

2-[3-(1,3-thiazol-2-ylamino)cyclopentyl]acetic acid (PubChem CID 130978931) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-[3-(1,3-thiazol-2-ylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[3-(1,3-thiazol-2-ylamino)cyclopentyl]acetic acid
PubChem CID130978931
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-[3-(1,3-thiazol-2-ylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1CCC(Nc2nccs2)C1
InChIInChI=1S/C10H14N2O2S/c13-9(14)6-7-1-2-8(5-7)12-10-11-3-4-15-10/h3-4,7-8H,1-2,5-6H2,(H,11,12)(H,13,14)
InChIKeyPETCHIRHJAFSSA-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1,3,4-thiadiazol-2-ylamino)cyclopentyl]acetic acid
CID 130643798
N-[(3-chlorocyclopentyl)methyl]-1,3-thiazol-2-amine
CID 106123958
1-cyclopropyl-3-(1,3-thiazol-2-yl)urea
CID 108887577
N-(2-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 106996268
N-(azetidin-3-yl)-1,3-thiazol-2-amine
CID 66187030
N-[(3R)-piperidin-3-yl]-1,3-thiazol-2-amine
CID 71637319
3-[(1,3-thiazol-2-ylamino)methyl]cyclobutan-1-ol
CID 66006565
tert-butyl 3-(1,3-thiazol-2-ylamino)pyrrolidine-1-carboxylate
CID 71629653
1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
CID 155973425
2-[1-(1,3-thiazol-2-ylamino)cyclobutyl]acetic acid
CID 79846026
3-[1-(1,3-thiazol-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62217199
2-[3-(1,3-thiazol-2-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]acetic acid
CID 167991947

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-thiazol-2-ylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[3-(1,3-thiazol-2-ylamino)cyclopentyl]acetic acid (CID 130978931) is 2-[3-(1,3-thiazol-2-ylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[3-(1,3-thiazol-2-ylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[3-(1,3-thiazol-2-ylamino)cyclopentyl]acetic acid is O=C(O)CC1CCC(Nc2nccs2)C1.
What is the InChIKey of 2-[3-(1,3-thiazol-2-ylamino)cyclopentyl]acetic acid?
The InChIKey is PETCHIRHJAFSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c13-9(14)6-7-1-2-8(5-7)12-10-11-3-4-15-10/h3-4,7-8H,1-2,5-6H2,(H,11,12)(H,13,14).
What are the key properties of 2-[3-(1,3-thiazol-2-ylamino)cyclopentyl]acetic acid?
2-[3-(1,3-thiazol-2-ylamino)cyclopentyl]acetic acid has a molecular weight of 226.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-thiazol-2-ylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 130978931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).