4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide

C15H19N3O3S2 — CID 16944802

IUPAC4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)NC(C)C)s2)cc1
InChIInChI=1S/C15H19N3O3S2/c1-9(2)16-14(19)13-11(4)17-15(22-13)18-23(20,21)12-7-5-10(3)6-8-12/h5-9H,1-4H3,(H,16,19)(H,17,18)
InChIKeyFEXCZFYWGBOYBD-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.70
Rot. Bonds5

About 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide

4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 16944802) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID16944802
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)NC(C)C)s2)cc1
InChIInChI=1S/C15H19N3O3S2/c1-9(2)16-14(19)13-11(4)17-15(22-13)18-23(20,21)12-7-5-10(3)6-8-12/h5-9H,1-4H3,(H,16,19)(H,17,18)
InChIKeyFEXCZFYWGBOYBD-UHFFFAOYSA-N
XLogP2.70
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 16944803
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 709425
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944816
2-[(4-methylphenyl)sulfonylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 101150458
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 16944982
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 16944943
2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 16944507
2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 16944691
2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20983476
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944828
N,N-dibutyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944777
N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944952

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide (CID 16944802) is 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)NC(C)C)s2)cc1.
What is the InChIKey of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is FEXCZFYWGBOYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-9(2)16-14(19)13-11(4)17-15(22-13)18-23(20,21)12-7-5-10(3)6-8-12/h5-9H,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16944802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).