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

C11H7Cl3N2OS2 — CID 59098172

IUPAC3,4-dichloro-N-[(4-chlorophenyl)sulfanylmethyl]-1,2-thiazole-5-carboxamide
SMILESO=C(NCSc1ccc(Cl)cc1)c1snc(Cl)c1Cl
InChIInChI=1S/C11H7Cl3N2OS2/c12-6-1-3-7(4-2-6)18-5-15-11(17)9-8(13)10(14)16-19-9/h1-4H,5H2,(H,15,17)
InChIKeyPQHLMYKFMULVBB-UHFFFAOYSA-N
MW353.68 g/mol
LogP4.58
Rot. Bonds4

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

3,4-dichloro-N-[(4-chlorophenyl)sulfanylmethyl]-1,2-thiazole-5-carboxamide (PubChem CID 59098172) has the molecular formula C11H7Cl3N2OS2 and a molecular weight of 353.68 g/mol. Its IUPAC name is 3,4-dichloro-N-[(4-chlorophenyl)sulfanylmethyl]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(4-chlorophenyl)sulfanylmethyl]-1,2-thiazole-5-carboxamide
PubChem CID59098172
Molecular FormulaC11H7Cl3N2OS2
Molecular Weight353.68 g/mol
Exact Mass351.91
IUPAC Name3,4-dichloro-N-[(4-chlorophenyl)sulfanylmethyl]-1,2-thiazole-5-carboxamide
SMILESO=C(NCSc1ccc(Cl)cc1)c1snc(Cl)c1Cl
InChIInChI=1S/C11H7Cl3N2OS2/c12-6-1-3-7(4-2-6)18-5-15-11(17)9-8(13)10(14)16-19-9/h1-4H,5H2,(H,15,17)
InChIKeyPQHLMYKFMULVBB-UHFFFAOYSA-N
XLogP4.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.68
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3,4-dichloro-N-[(4-chlorophenyl)sulfanylmethyl]-1,2-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(4-chlorophenyl)sulfanylmethyl]-1,2-thiazole-5-carboxamide?
The IUPAC name of 3,4-dichloro-N-[(4-chlorophenyl)sulfanylmethyl]-1,2-thiazole-5-carboxamide (CID 59098172) is 3,4-dichloro-N-[(4-chlorophenyl)sulfanylmethyl]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 3,4-dichloro-N-[(4-chlorophenyl)sulfanylmethyl]-1,2-thiazole-5-carboxamide?
The canonical SMILES for 3,4-dichloro-N-[(4-chlorophenyl)sulfanylmethyl]-1,2-thiazole-5-carboxamide is O=C(NCSc1ccc(Cl)cc1)c1snc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-N-[(4-chlorophenyl)sulfanylmethyl]-1,2-thiazole-5-carboxamide?
The InChIKey is PQHLMYKFMULVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2OS2/c12-6-1-3-7(4-2-6)18-5-15-11(17)9-8(13)10(14)16-19-9/h1-4H,5H2,(H,15,17).
What are the key properties of 3,4-dichloro-N-[(4-chlorophenyl)sulfanylmethyl]-1,2-thiazole-5-carboxamide?
3,4-dichloro-N-[(4-chlorophenyl)sulfanylmethyl]-1,2-thiazole-5-carboxamide has a molecular weight of 353.68 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(4-chlorophenyl)sulfanylmethyl]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 59098172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).