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

C10H5Cl3N2OS — CID 686832

IUPAC3,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1c(Cl)nsc1Cl
InChIInChI=1S/C10H5Cl3N2OS/c11-5-1-3-6(4-2-5)14-10(16)7-8(12)15-17-9(7)13/h1-4H,(H,14,16)
InChIKeyKILJSONHTJSJEF-UHFFFAOYSA-N
MW307.59 g/mol
LogP4.36
Rot. Bonds2

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

3,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-4-carboxamide (PubChem CID 686832) has the molecular formula C10H5Cl3N2OS and a molecular weight of 307.59 g/mol. Its IUPAC name is 3,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-4-carboxamide
PubChem CID686832
Molecular FormulaC10H5Cl3N2OS
Molecular Weight307.59 g/mol
Exact Mass305.92
IUPAC Name3,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1c(Cl)nsc1Cl
InChIInChI=1S/C10H5Cl3N2OS/c11-5-1-3-6(4-2-5)14-10(16)7-8(12)15-17-9(7)13/h1-4H,(H,14,16)
InChIKeyKILJSONHTJSJEF-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 3,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-4-carboxamide (CID 686832) is 3,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-4-carboxamide is O=C(Nc1ccc(Cl)cc1)c1c(Cl)nsc1Cl.
What is the InChIKey of 3,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-4-carboxamide?
The InChIKey is KILJSONHTJSJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3N2OS/c11-5-1-3-6(4-2-5)14-10(16)7-8(12)15-17-9(7)13/h1-4H,(H,14,16).
What are the key properties of 3,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-4-carboxamide?
3,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-4-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 3,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 686832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).