2-(3-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C10H8ClNO2S — CID 69465255

IUPAC2-(3-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cccc(Cl)c2)=N1
InChIInChI=1S/C10H8ClNO2S/c11-7-3-1-2-6(4-7)9-12-8(5-15-9)10(13)14/h1-4,8H,5H2,(H,13,14)
InChIKeySKRDSZIZFIAERJ-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.29
Rot. Bonds2

About 2-(3-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

2-(3-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 69465255) has the molecular formula C10H8ClNO2S and a molecular weight of 241.70 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID69465255
Molecular FormulaC10H8ClNO2S
Molecular Weight241.70 g/mol
Exact Mass241.00
IUPAC Name2-(3-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cccc(Cl)c2)=N1
InChIInChI=1S/C10H8ClNO2S/c11-7-3-1-2-6(4-7)9-12-8(5-15-9)10(13)14/h1-4,8H,5H2,(H,13,14)
InChIKeySKRDSZIZFIAERJ-UHFFFAOYSA-N
XLogP2.29
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-Chlorobenzylthio)-2-aminobutanoic acid
CID 44408320
(4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 7410566
2-Phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 88327
(4S)-2-Phenyl-4,5-dihydro-thiazole-4-carboxylic acid
CID 7410568
2-Phenylmethyl-4,5-dihydrothiazole-4-carboxylic acid
CID 25246418
(4R)-2-(4-Chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 70682721
2-(4-Fluorophenyl)-4,5-dihydrothiazole-4-carboxylic Acid
CID 69463030
2-(3-Fluorophenyl)-4,5-dihydrothiazole-4-carboxylic Acid
CID 69465341
(4R)-2-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 25257912
(4R)-2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 25257913
(4R)-2-(3-fluorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 25259060
(R)-2-(2-Fluorophenyl)-4,5-dihydrothiazole-4-carboxylic Acid
CID 74436414

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 69465255) is 2-(3-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is O=C(O)C1CSC(c2cccc(Cl)c2)=N1.
What is the InChIKey of 2-(3-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is SKRDSZIZFIAERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2S/c11-7-3-1-2-6(4-7)9-12-8(5-15-9)10(13)14/h1-4,8H,5H2,(H,13,14).
What are the key properties of 2-(3-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
2-(3-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 241.70 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 69465255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).