1-(1,2-thiazol-5-yl)cyclopentane-1-carboxylic acid

C9H11NO2S — CID 96621501

IUPAC1-(1,2-thiazol-5-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccns2)CCCC1
InChIInChI=1S/C9H11NO2S/c11-8(12)9(4-1-2-5-9)7-3-6-10-13-7/h3,6H,1-2,4-5H2,(H,11,12)
InChIKeySNEYKIXFJQBDQR-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.04
Rot. Bonds2

About 1-(1,2-thiazol-5-yl)cyclopentane-1-carboxylic acid

1-(1,2-thiazol-5-yl)cyclopentane-1-carboxylic acid (PubChem CID 96621501) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-(1,2-thiazol-5-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,2-thiazol-5-yl)cyclopentane-1-carboxylic acid
PubChem CID96621501
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name1-(1,2-thiazol-5-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccns2)CCCC1
InChIInChI=1S/C9H11NO2S/c11-8(12)9(4-1-2-5-9)7-3-6-10-13-7/h3,6H,1-2,4-5H2,(H,11,12)
InChIKeySNEYKIXFJQBDQR-UHFFFAOYSA-N
XLogP2.04
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-Thiazol-5-yl)acetic acid
CID 20389339
2-Methyl-2-(1,2-thiazol-5-yl)propanoic acid
CID 82412108
4-Hydroxy-2-(1,2-thiazol-5-yl)butanoic acid
CID 82405484
3-(1,2-Thiazol-5-yl)oxetane-3-carboxylic acid
CID 82406251
2-[1-(1,2-Thiazol-5-yl)cyclopropyl]acetic acid
CID 82407144
3-(1,2-Thiazol-5-yl)butanoic acid
CID 82598396
1-Methyl-4-(1,2-thiazol-5-yl)piperidine-4-carboxylic acid
CID 96603325
4-(1,2-Thiazol-5-yl)oxane-4-carboxylic acid
CID 96612608
1-(1,2-Thiazol-5-yl)cyclobutane-1-carboxylic acid
CID 96627418
1-(1,2-Thiazol-5-yl)cyclopropane-1-carboxylic acid
CID 96631993
2-(1,2-Thiazol-5-yl)butanoic acid
CID 112489558
2-(1,2-Thiazol-5-yl)propanoic acid
CID 112489827

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-thiazol-5-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(1,2-thiazol-5-yl)cyclopentane-1-carboxylic acid (CID 96621501) is 1-(1,2-thiazol-5-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(1,2-thiazol-5-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(1,2-thiazol-5-yl)cyclopentane-1-carboxylic acid is O=C(O)C1(c2ccns2)CCCC1.
What is the InChIKey of 1-(1,2-thiazol-5-yl)cyclopentane-1-carboxylic acid?
The InChIKey is SNEYKIXFJQBDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c11-8(12)9(4-1-2-5-9)7-3-6-10-13-7/h3,6H,1-2,4-5H2,(H,11,12).
What are the key properties of 1-(1,2-thiazol-5-yl)cyclopentane-1-carboxylic acid?
1-(1,2-thiazol-5-yl)cyclopentane-1-carboxylic acid has a molecular weight of 197.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-thiazol-5-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 96621501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).