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

C10H7Cl2NO2S — CID 171374317

IUPAC2-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cc(Cl)cc(Cl)c2)=N1
InChIInChI=1S/C10H7Cl2NO2S/c11-6-1-5(2-7(12)3-6)9-13-8(4-16-9)10(14)15/h1-3,8H,4H2,(H,14,15)
InChIKeySQXRPGNLHZHMTI-UHFFFAOYSA-N
MW276.14 g/mol
LogP2.94
Rot. Bonds2

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

2-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 171374317) has the molecular formula C10H7Cl2NO2S and a molecular weight of 276.14 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID171374317
Molecular FormulaC10H7Cl2NO2S
Molecular Weight276.14 g/mol
Exact Mass274.96
IUPAC Name2-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cc(Cl)cc(Cl)c2)=N1
InChIInChI=1S/C10H7Cl2NO2S/c11-6-1-5(2-7(12)3-6)9-13-8(4-16-9)10(14)15/h1-3,8H,4H2,(H,14,15)
InChIKeySQXRPGNLHZHMTI-UHFFFAOYSA-N
XLogP2.94
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-Dichlorobenzylthio)-2-aminobutanoic acid
CID 44408337
(4R)-2-(4-Chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 70682721
(R)-2-(2-Chloro-4-fluorophenyl)-4,5-dihydrothiazole-4-carboxylic Acid
CID 171374348
2-(4-Chloro-2-fluorophenyl)-4,5-dihydrothiazole-4-carboxylic Acid
CID 171374359
2-(5-Chloro-2-fluorophenyl)-4,5-dihydrothiazole-4-carboxylic Acid
CID 171374368
2-(3-Chloro-2-fluorophenyl)-4,5-dihydrothiazole-4-carboxylic Acid
CID 171374379
2-(2-Chloro-5-fluorophenyl)-4,5-dihydrothiazole-4-carboxylic Acid
CID 171374403
2-(4-Chloro-3-fluorophenyl)-4,5-dihydrothiazole-4-carboxylic Acid
CID 171374412
2-(3-Chloro-5-fluorophenyl)-4,5-dihydrothiazole-4-carboxylic Acid
CID 171374416
2-(3-Chloro-4-fluorophenyl)-4,5-dihydrothiazole-4-carboxylic Acid
CID 171374419
2-(2-Chloro-3-fluorophenyl)-4,5-dihydrothiazole-4-carboxylic Acid
CID 171374442
2-(4-Chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 12318802

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 171374317) is 2-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is O=C(O)C1CSC(c2cc(Cl)cc(Cl)c2)=N1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is SQXRPGNLHZHMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO2S/c11-6-1-5(2-7(12)3-6)9-13-8(4-16-9)10(14)15/h1-3,8H,4H2,(H,14,15).
What are the key properties of 2-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
2-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 276.14 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 171374317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).