1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylic acid

C14H14N2O2S — CID 82134596

IUPAC1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2csc(-c3ccccn3)n2)CCCC1
InChIInChI=1S/C14H14N2O2S/c17-13(18)14(6-2-3-7-14)11-9-19-12(16-11)10-5-1-4-8-15-10/h1,4-5,8-9H,2-3,6-7H2,(H,17,18)
InChIKeyALMXOSVDRRKMLU-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.10
Rot. Bonds3

About 1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylic acid

1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylic acid (PubChem CID 82134596) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylic acid
PubChem CID82134596
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC Name1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2csc(-c3ccccn3)n2)CCCC1
InChIInChI=1S/C14H14N2O2S/c17-13(18)14(6-2-3-7-14)11-9-19-12(16-11)10-5-1-4-8-15-10/h1,4-5,8-9H,2-3,6-7H2,(H,17,18)
InChIKeyALMXOSVDRRKMLU-UHFFFAOYSA-N
XLogP3.10
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid
CID 116891028
[1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclopropyl]methanol
CID 116890867
1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid
CID 116891023
2-pyridin-2-yl-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1,3-thiazole
CID 15542721
1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride
CID 56604209
[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]cyclohexyl]methanol
CID 62521004
N-[(1-hydroxycyclohexyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 111445951
1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid
CID 82380243
2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 126792905
1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 108784317
4-benzyl-2-pyridin-2-yl-1,3-thiazole
CID 18182490
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylic acid (CID 82134596) is 1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylic acid is O=C(O)C1(c2csc(-c3ccccn3)n2)CCCC1.
What is the InChIKey of 1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylic acid?
The InChIKey is ALMXOSVDRRKMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c17-13(18)14(6-2-3-7-14)11-9-19-12(16-11)10-5-1-4-8-15-10/h1,4-5,8-9H,2-3,6-7H2,(H,17,18).
What are the key properties of 1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylic acid?
1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylic acid has a molecular weight of 274.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82134596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).