3,4-dichloro-N-phenyl-1,2-thiazole-5-carboxamide

C10H6Cl2N2OS — CID 19880776

IUPAC3,4-dichloro-N-phenyl-1,2-thiazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1snc(Cl)c1Cl
InChIInChI=1S/C10H6Cl2N2OS/c11-7-8(16-14-9(7)12)10(15)13-6-4-2-1-3-5-6/h1-5H,(H,13,15)
InChIKeyOMQCRMYQYIGIQI-UHFFFAOYSA-N
MW273.14 g/mol
LogP3.70
Rot. Bonds2

About 3,4-dichloro-N-phenyl-1,2-thiazole-5-carboxamide

3,4-dichloro-N-phenyl-1,2-thiazole-5-carboxamide (PubChem CID 19880776) has the molecular formula C10H6Cl2N2OS and a molecular weight of 273.14 g/mol. Its IUPAC name is 3,4-dichloro-N-phenyl-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-N-phenyl-1,2-thiazole-5-carboxamide
PubChem CID19880776
Molecular FormulaC10H6Cl2N2OS
Molecular Weight273.14 g/mol
Exact Mass271.96
IUPAC Name3,4-dichloro-N-phenyl-1,2-thiazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1snc(Cl)c1Cl
InChIInChI=1S/C10H6Cl2N2OS/c11-7-8(16-14-9(7)12)10(15)13-6-4-2-1-3-5-6/h1-5H,(H,13,15)
InChIKeyOMQCRMYQYIGIQI-UHFFFAOYSA-N
XLogP3.70
TPSA41.99 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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2747397
N-(4-chlorophenyl)isothiazole-3-carboxamide
CID 3239153
4,5-Dichloro-isothiazole-3-carboxylic acid (4-fluoro-phenyl)-amide
CID 750407
3,5-dichloro-N-(4-chlorophenyl)-1,2-thiazole-4-carboxamide
CID 686832
4,5-dichloro-N-(4-chlorophenyl)isothiazole-3-carboxamide
CID 750393
4,5-dichloro-N-(4-iodophenyl)-3-isothiazolecarboxamide
CID 1289877
3,4-dichloro-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-thiazole-5-carboxamide
CID 175113185
N-phenyl-4,5-dichloroisothiazole-3-carboxamide
CID 12155610
4,5-Dichloro-N-(4-sulfamoylphenyl)-1,2-thiazole-3-carboxamide
CID 138377014
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CID 138377180

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-phenyl-1,2-thiazole-5-carboxamide?
The IUPAC name of 3,4-dichloro-N-phenyl-1,2-thiazole-5-carboxamide (CID 19880776) is 3,4-dichloro-N-phenyl-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 3,4-dichloro-N-phenyl-1,2-thiazole-5-carboxamide?
The canonical SMILES for 3,4-dichloro-N-phenyl-1,2-thiazole-5-carboxamide is O=C(Nc1ccccc1)c1snc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-N-phenyl-1,2-thiazole-5-carboxamide?
The InChIKey is OMQCRMYQYIGIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2OS/c11-7-8(16-14-9(7)12)10(15)13-6-4-2-1-3-5-6/h1-5H,(H,13,15).
What are the key properties of 3,4-dichloro-N-phenyl-1,2-thiazole-5-carboxamide?
3,4-dichloro-N-phenyl-1,2-thiazole-5-carboxamide has a molecular weight of 273.14 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-phenyl-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 19880776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).