2-[(2-phenylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid

C13H12N2O2S — CID 80570912

IUPAC2-[(2-phenylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(NC2CC2c2ccccc2)s1
InChIInChI=1S/C13H12N2O2S/c16-12(17)11-7-14-13(18-11)15-10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2,(H,14,15)(H,16,17)
InChIKeyIDUJQUVMQZEYIK-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.81
Rot. Bonds4

About 2-[(2-phenylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid

2-[(2-phenylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 80570912) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-[(2-phenylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-phenylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID80570912
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name2-[(2-phenylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(NC2CC2c2ccccc2)s1
InChIInChI=1S/C13H12N2O2S/c16-12(17)11-7-14-13(18-11)15-10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2,(H,14,15)(H,16,17)
InChIKeyIDUJQUVMQZEYIK-UHFFFAOYSA-N
XLogP2.81
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(2-phenylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid (CID 80570912) is 2-[(2-phenylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(2-phenylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(2-phenylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(NC2CC2c2ccccc2)s1.
What is the InChIKey of 2-[(2-phenylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is IDUJQUVMQZEYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c16-12(17)11-7-14-13(18-11)15-10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-phenylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid?
2-[(2-phenylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 260.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80570912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).