4,5-dichloro-N-(3-chloro-4-fluorophenyl)-1,2-thiazole-3-carboxamide

C10H4Cl3FN2OS — CID 2747396

IUPAC4,5-dichloro-N-(3-chloro-4-fluorophenyl)-1,2-thiazole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1nsc(Cl)c1Cl
InChIInChI=1S/C10H4Cl3FN2OS/c11-5-3-4(1-2-6(5)14)15-10(17)8-7(12)9(13)18-16-8/h1-3H,(H,15,17)
InChIKeyKWCSXECXEHSBQV-UHFFFAOYSA-N
MW325.58 g/mol
LogP4.49
Rot. Bonds2

About 4,5-dichloro-N-(3-chloro-4-fluorophenyl)-1,2-thiazole-3-carboxamide

4,5-dichloro-N-(3-chloro-4-fluorophenyl)-1,2-thiazole-3-carboxamide (PubChem CID 2747396) has the molecular formula C10H4Cl3FN2OS and a molecular weight of 325.58 g/mol. Its IUPAC name is 4,5-dichloro-N-(3-chloro-4-fluorophenyl)-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(3-chloro-4-fluorophenyl)-1,2-thiazole-3-carboxamide
PubChem CID2747396
Molecular FormulaC10H4Cl3FN2OS
Molecular Weight325.58 g/mol
Exact Mass323.91
IUPAC Name4,5-dichloro-N-(3-chloro-4-fluorophenyl)-1,2-thiazole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1nsc(Cl)c1Cl
InChIInChI=1S/C10H4Cl3FN2OS/c11-5-3-4(1-2-6(5)14)15-10(17)8-7(12)9(13)18-16-8/h1-3H,(H,15,17)
InChIKeyKWCSXECXEHSBQV-UHFFFAOYSA-N
XLogP4.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(3-chloro-4-fluorophenyl)-1,2-thiazole-3-carboxamide?
The IUPAC name of 4,5-dichloro-N-(3-chloro-4-fluorophenyl)-1,2-thiazole-3-carboxamide (CID 2747396) is 4,5-dichloro-N-(3-chloro-4-fluorophenyl)-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(3-chloro-4-fluorophenyl)-1,2-thiazole-3-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(3-chloro-4-fluorophenyl)-1,2-thiazole-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1nsc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-N-(3-chloro-4-fluorophenyl)-1,2-thiazole-3-carboxamide?
The InChIKey is KWCSXECXEHSBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl3FN2OS/c11-5-3-4(1-2-6(5)14)15-10(17)8-7(12)9(13)18-16-8/h1-3H,(H,15,17).
What are the key properties of 4,5-dichloro-N-(3-chloro-4-fluorophenyl)-1,2-thiazole-3-carboxamide?
4,5-dichloro-N-(3-chloro-4-fluorophenyl)-1,2-thiazole-3-carboxamide has a molecular weight of 325.58 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(3-chloro-4-fluorophenyl)-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 2747396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).