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

C10H8ClNO2S — CID 70682721

IUPAC(4R)-2-(4-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C10H8ClNO2S/c11-7-3-1-6(2-4-7)9-12-8(5-15-9)10(13)14/h1-4,8H,5H2,(H,13,14)/t8-/m0/s1
InChIKeyHCBROVLUPHEPFU-QMMMGPOBSA-N
MW241.70 g/mol
LogP2.29
Rot. Bonds2

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

(4R)-2-(4-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 70682721) has the molecular formula C10H8ClNO2S and a molecular weight of 241.70 g/mol. Its IUPAC name is (4R)-2-(4-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-(4-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID70682721
Molecular FormulaC10H8ClNO2S
Molecular Weight241.70 g/mol
Exact Mass241.00
IUPAC Name(4R)-2-(4-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C10H8ClNO2S/c11-7-3-1-6(2-4-7)9-12-8(5-15-9)10(13)14/h1-4,8H,5H2,(H,13,14)/t8-/m0/s1
InChIKeyHCBROVLUPHEPFU-QMMMGPOBSA-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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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of (4R)-2-(4-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 70682721) is (4R)-2-(4-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for (4R)-2-(4-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for (4R)-2-(4-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is O=C(O)[C@@H]1CSC(c2ccc(Cl)cc2)=N1.
What is the InChIKey of (4R)-2-(4-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is HCBROVLUPHEPFU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H8ClNO2S/c11-7-3-1-6(2-4-7)9-12-8(5-15-9)10(13)14/h1-4,8H,5H2,(H,13,14)/t8-/m0/s1.
What are the key properties of (4R)-2-(4-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
(4R)-2-(4-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 (4R)-2-(4-chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 70682721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).