4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

C17H15ClN4O3S2 — CID 90086251

IUPAC4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)c2sc(-c3cccnc3)nc2Cl)cc1
InChIInChI=1S/C17H15ClN4O3S2/c1-22(2)27(24,25)13-7-5-12(6-8-13)20-16(23)14-15(18)21-17(26-14)11-4-3-9-19-10-11/h3-10H,1-2H3,(H,20,23)
InChIKeyDWMRNIPLGCZLBE-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.36
Rot. Bonds5

About 4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 90086251) has the molecular formula C17H15ClN4O3S2 and a molecular weight of 422.92 g/mol. Its IUPAC name is 4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID90086251
Molecular FormulaC17H15ClN4O3S2
Molecular Weight422.92 g/mol
Exact Mass422.03
IUPAC Name4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)c2sc(-c3cccnc3)nc2Cl)cc1
InChIInChI=1S/C17H15ClN4O3S2/c1-22(2)27(24,25)13-7-5-12(6-8-13)20-16(23)14-15(18)21-17(26-14)11-4-3-9-19-10-11/h3-10H,1-2H3,(H,20,23)
InChIKeyDWMRNIPLGCZLBE-UHFFFAOYSA-N
XLogP3.36
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-6-yl)-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71114641
4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
CID 86713748
N-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71111592
4-chloro-N,N-dimethyl-2-pyridin-3-yl-1,3-thiazole-5-carbothioamide
CID 89394604
4-chloro-N-[4-(4-chlorophenyl)thiadiazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71114674
4-chloro-N-(1-methoxyimino-2-methylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 123366475
4-chloro-N-[1-(4-fluorophenyl)-2-methyl-1-oxopropan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71114305
N-[1-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
CID 131732978
3-amino-N-[4-(dimethylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 61117853
4-chloro-N-(2-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71111886
2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 25434513
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 78884142

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 90086251) is 4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is CN(C)S(=O)(=O)c1ccc(NC(=O)c2sc(-c3cccnc3)nc2Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is DWMRNIPLGCZLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S2/c1-22(2)27(24,25)13-7-5-12(6-8-13)20-16(23)14-15(18)21-17(26-14)11-4-3-9-19-10-11/h3-10H,1-2H3,(H,20,23).
What are the key properties of 4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 422.92 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90086251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).