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

C10H6Cl2N2OS — CID 2779904

IUPAC3-chloro-5-(2-chlorophenyl)-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(Cl)nsc1-c1ccccc1Cl
InChIInChI=1S/C10H6Cl2N2OS/c11-6-4-2-1-3-5(6)8-7(10(13)15)9(12)14-16-8/h1-4H,(H2,13,15)
InChIKeyRGXKSKQYJODGLK-UHFFFAOYSA-N
MW273.14 g/mol
LogP3.22
Rot. Bonds2

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

3-chloro-5-(2-chlorophenyl)-1,2-thiazole-4-carboxamide (PubChem CID 2779904) has the molecular formula C10H6Cl2N2OS and a molecular weight of 273.14 g/mol. Its IUPAC name is 3-chloro-5-(2-chlorophenyl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-chloro-5-(2-chlorophenyl)-1,2-thiazole-4-carboxamide
PubChem CID2779904
Molecular FormulaC10H6Cl2N2OS
Molecular Weight273.14 g/mol
Exact Mass271.96
IUPAC Name3-chloro-5-(2-chlorophenyl)-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(Cl)nsc1-c1ccccc1Cl
InChIInChI=1S/C10H6Cl2N2OS/c11-6-4-2-1-3-5(6)8-7(10(13)15)9(12)14-16-8/h1-4H,(H2,13,15)
InChIKeyRGXKSKQYJODGLK-UHFFFAOYSA-N
XLogP3.22
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-chlorophenyl)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-chloro-5-(2-chlorophenyl)-1,2-thiazole-4-carboxamide (CID 2779904) is 3-chloro-5-(2-chlorophenyl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-chloro-5-(2-chlorophenyl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-chloro-5-(2-chlorophenyl)-1,2-thiazole-4-carboxamide is NC(=O)c1c(Cl)nsc1-c1ccccc1Cl.
What is the InChIKey of 3-chloro-5-(2-chlorophenyl)-1,2-thiazole-4-carboxamide?
The InChIKey is RGXKSKQYJODGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2OS/c11-6-4-2-1-3-5(6)8-7(10(13)15)9(12)14-16-8/h1-4H,(H2,13,15).
What are the key properties of 3-chloro-5-(2-chlorophenyl)-1,2-thiazole-4-carboxamide?
3-chloro-5-(2-chlorophenyl)-1,2-thiazole-4-carboxamide has a molecular weight of 273.14 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-chlorophenyl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 2779904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).