3-chloro-5-(3,5-dichlorophenyl)-1,2-thiazole-4-carboxamide

C10H5Cl3N2OS — CID 46735501

IUPAC3-chloro-5-(3,5-dichlorophenyl)-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(Cl)nsc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H5Cl3N2OS/c11-5-1-4(2-6(12)3-5)8-7(10(14)16)9(13)15-17-8/h1-3H,(H2,14,16)
InChIKeyMLBYWMGLZYPTPB-UHFFFAOYSA-N
MW307.59 g/mol
LogP3.87
Rot. Bonds2

About 3-chloro-5-(3,5-dichlorophenyl)-1,2-thiazole-4-carboxamide

3-chloro-5-(3,5-dichlorophenyl)-1,2-thiazole-4-carboxamide (PubChem CID 46735501) has the molecular formula C10H5Cl3N2OS and a molecular weight of 307.59 g/mol. Its IUPAC name is 3-chloro-5-(3,5-dichlorophenyl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-chloro-5-(3,5-dichlorophenyl)-1,2-thiazole-4-carboxamide
PubChem CID46735501
Molecular FormulaC10H5Cl3N2OS
Molecular Weight307.59 g/mol
Exact Mass305.92
IUPAC Name3-chloro-5-(3,5-dichlorophenyl)-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(Cl)nsc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H5Cl3N2OS/c11-5-1-4(2-6(12)3-5)8-7(10(14)16)9(13)15-17-8/h1-3H,(H2,14,16)
InChIKeyMLBYWMGLZYPTPB-UHFFFAOYSA-N
XLogP3.87
TPSA55.98 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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3,5-dichlorophenyl)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-chloro-5-(3,5-dichlorophenyl)-1,2-thiazole-4-carboxamide (CID 46735501) is 3-chloro-5-(3,5-dichlorophenyl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-chloro-5-(3,5-dichlorophenyl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-chloro-5-(3,5-dichlorophenyl)-1,2-thiazole-4-carboxamide is NC(=O)c1c(Cl)nsc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-chloro-5-(3,5-dichlorophenyl)-1,2-thiazole-4-carboxamide?
The InChIKey is MLBYWMGLZYPTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3N2OS/c11-5-1-4(2-6(12)3-5)8-7(10(14)16)9(13)15-17-8/h1-3H,(H2,14,16).
What are the key properties of 3-chloro-5-(3,5-dichlorophenyl)-1,2-thiazole-4-carboxamide?
3-chloro-5-(3,5-dichlorophenyl)-1,2-thiazole-4-carboxamide has a molecular weight of 307.59 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3,5-dichlorophenyl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 46735501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).