2-(4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid

C13H11NO2S — CID 116965816

IUPAC2-(4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H11NO2S/c15-13(16)10-6-9(10)12-14-11(7-17-12)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2,(H,15,16)
InChIKeyKBXGDHUXRUDMDN-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.00
Rot. Bonds3

About 2-(4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid

2-(4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 116965816) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-(4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid
PubChem CID116965816
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name2-(4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H11NO2S/c15-13(16)10-6-9(10)12-14-11(7-17-12)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2,(H,15,16)
InChIKeyKBXGDHUXRUDMDN-UHFFFAOYSA-N
XLogP3.00
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxylic acid
CID 116965821
2-(4-ethyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid
CID 116965810
cis-(1S,2R)-2-(1,3-benzothiazol-2-yl)cyclopropane-1-carboxylic acid
CID 51674035
2-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid
CID 116965814
cis-(1S,3R)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine;trans-(1S,3S)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 160876170
2-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119184553
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 5015586
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
cis-(1S,2R)-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1000957
(3S,4S)-4-methyl-1-(4-phenyl-1,3-thiazole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 122112197
4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride
CID 50988268
(2R,3R)-2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxylic acid
CID 122124812

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid (CID 116965816) is 2-(4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is KBXGDHUXRUDMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c15-13(16)10-6-9(10)12-14-11(7-17-12)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2,(H,15,16).
What are the key properties of 2-(4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid?
2-(4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 245.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116965816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).