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

C10H5Cl3N2OS — CID 750393

IUPAC4,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1nsc(Cl)c1Cl
InChIInChI=1S/C10H5Cl3N2OS/c11-5-1-3-6(4-2-5)14-10(16)8-7(12)9(13)17-15-8/h1-4H,(H,14,16)
InChIKeyQOJDCAOSRIVIRG-UHFFFAOYSA-N
MW307.59 g/mol
LogP4.36
Rot. Bonds2

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

4,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-3-carboxamide (PubChem CID 750393) has the molecular formula C10H5Cl3N2OS and a molecular weight of 307.59 g/mol. Its IUPAC name is 4,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-3-carboxamide
PubChem CID750393
Molecular FormulaC10H5Cl3N2OS
Molecular Weight307.59 g/mol
Exact Mass305.92
IUPAC Name4,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1nsc(Cl)c1Cl
InChIInChI=1S/C10H5Cl3N2OS/c11-5-1-3-6(4-2-5)14-10(16)8-7(12)9(13)17-15-8/h1-4H,(H,14,16)
InChIKeyQOJDCAOSRIVIRG-UHFFFAOYSA-N
XLogP4.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.59
LogP ≤ 54.36
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-(4-chlorophenyl)-1,2-thiazole-3-carboxamide?
The IUPAC name of 4,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-3-carboxamide (CID 750393) is 4,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-3-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1nsc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-3-carboxamide?
The InChIKey is QOJDCAOSRIVIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3N2OS/c11-5-1-3-6(4-2-5)14-10(16)8-7(12)9(13)17-15-8/h1-4H,(H,14,16).
What are the key properties of 4,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-3-carboxamide?
4,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-3-carboxamide has a molecular weight of 307.59 g/mol, XLogP of 4.36, 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-(4-chlorophenyl)-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 750393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).