N-(2,6-dimethyl-4-sulfamoylphenyl)-2-methyl-1,3-thiazole-4-carboxamide

C13H15N3O3S2 — CID 65198450

IUPACN-(2,6-dimethyl-4-sulfamoylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2c(C)cc(S(N)(=O)=O)cc2C)cs1
InChIInChI=1S/C13H15N3O3S2/c1-7-4-10(21(14,18)19)5-8(2)12(7)16-13(17)11-6-20-9(3)15-11/h4-6H,1-3H3,(H,16,17)(H2,14,18,19)
InChIKeyNIRURNIFLIRBIR-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.97
Rot. Bonds3

About N-(2,6-dimethyl-4-sulfamoylphenyl)-2-methyl-1,3-thiazole-4-carboxamide

N-(2,6-dimethyl-4-sulfamoylphenyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 65198450) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-(2,6-dimethyl-4-sulfamoylphenyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-4-sulfamoylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID65198450
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC NameN-(2,6-dimethyl-4-sulfamoylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2c(C)cc(S(N)(=O)=O)cc2C)cs1
InChIInChI=1S/C13H15N3O3S2/c1-7-4-10(21(14,18)19)5-8(2)12(7)16-13(17)11-6-20-9(3)15-11/h4-6H,1-3H3,(H,16,17)(H2,14,18,19)
InChIKeyNIRURNIFLIRBIR-UHFFFAOYSA-N
XLogP1.97
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
CID 47445064
3,5-difluoro-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzenesulfonyl chloride
CID 65199816
N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199792
N-(2-chloro-6-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 66254800
2-amino-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 55116293
N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199836
N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 79729954
N-(4-amino-2-bromophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199281
N-(2,6-dimethyl-4-sulfamoylphenyl)-2-ethylbutanamide
CID 43246820
3,5-dimethyl-4-(pyridine-2-carbonylamino)benzenesulfonyl chloride
CID 43102261
N,2-dimethyl-1,3-thiazole-4-carboxamide;methanol
CID 90101890
2-(phenylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16948235

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-4-sulfamoylphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,6-dimethyl-4-sulfamoylphenyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 65198450) is N-(2,6-dimethyl-4-sulfamoylphenyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethyl-4-sulfamoylphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,6-dimethyl-4-sulfamoylphenyl)-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2c(C)cc(S(N)(=O)=O)cc2C)cs1.
What is the InChIKey of N-(2,6-dimethyl-4-sulfamoylphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is NIRURNIFLIRBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-7-4-10(21(14,18)19)5-8(2)12(7)16-13(17)11-6-20-9(3)15-11/h4-6H,1-3H3,(H,16,17)(H2,14,18,19).
What are the key properties of N-(2,6-dimethyl-4-sulfamoylphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(2,6-dimethyl-4-sulfamoylphenyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-4-sulfamoylphenyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 65198450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).