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

C13H12N2O2S — CID 116891028

IUPAC1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2csc(-c3ccccn3)n2)CCC1
InChIInChI=1S/C13H12N2O2S/c16-12(17)13(5-3-6-13)10-8-18-11(15-10)9-4-1-2-7-14-9/h1-2,4,7-8H,3,5-6H2,(H,16,17)
InChIKeyKKZPMMJFDANUFY-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.71
Rot. Bonds3

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

1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid (PubChem CID 116891028) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid
PubChem CID116891028
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2csc(-c3ccccn3)n2)CCC1
InChIInChI=1S/C13H12N2O2S/c16-12(17)13(5-3-6-13)10-8-18-11(15-10)9-4-1-2-7-14-9/h1-2,4,7-8H,3,5-6H2,(H,16,17)
InChIKeyKKZPMMJFDANUFY-UHFFFAOYSA-N
XLogP2.71
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylic acid
CID 82134596
[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-(3-methylphenyl)-1,3-thiazol-4-yl]cyclopropane-1-carboxylic acid
CID 82380243
[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-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
(3aS,6aR)-2-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682522

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid (CID 116891028) is 1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2csc(-c3ccccn3)n2)CCC1.
What is the InChIKey of 1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid?
The InChIKey is KKZPMMJFDANUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c16-12(17)13(5-3-6-13)10-8-18-11(15-10)9-4-1-2-7-14-9/h1-2,4,7-8H,3,5-6H2,(H,16,17).
What are the key properties of 1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid?
1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid has a molecular weight of 260.32 g/mol, XLogP of 2.71, 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)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 116891028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).