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

C18H17N3O3S2 — CID 1132236

IUPAC4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)Nc3ccccc3)s2)cc1
InChIInChI=1S/C18H17N3O3S2/c1-12-8-10-15(11-9-12)26(23,24)21-18-19-13(2)16(25-18)17(22)20-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyPFAJWVQJQKFRMD-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.81
Rot. Bonds5

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

4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 1132236) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID1132236
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC Name4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)Nc3ccccc3)s2)cc1
InChIInChI=1S/C18H17N3O3S2/c1-12-8-10-15(11-9-12)26(23,24)21-18-19-13(2)16(25-18)17(22)20-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyPFAJWVQJQKFRMD-UHFFFAOYSA-N
XLogP3.81
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-mesityl-4-methyl-2-(3-phenylureido)thiazole-5-carboxamide
CID 16897096
4-Methyl-2-phenyl-N-(4-sulfamoylphenyl)thiazole-5-carboxamide
CID 2814179
2-amino-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 939967
2-(Cyclopropanecarbonyl-amino)-4-methyl-thiazole-5-carboxylic acid o-tolylamide
CID 857264
Amicarthiazol
CID 735558
4-{[4-Amino-5-(4-Sulfamoylbenzoyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide
CID 66553048
2-(benzylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 2440658
N-[4-methyl-5-({2-[(4-methylphenyl)sulfonyl]hydrazinyl}carbonyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 1985541
2-[(2,5-dimethylphenyl)sulfonylamino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 2275751
4-Methyl-2-(3-phenyl-acryloylamino)-thiazole-5-carboxylic acid (4-chloro-phenyl)-amide
CID 1468162
4-Methyl-2-(3-phenyl-acryloylamino)-thiazole-5-carboxylic acid (3-chloro-phenyl)-amide
CID 1468186
N-[4-[2-[4-(diaminomethylideneamino)phenyl]ethyl]-5-[(4-methylsulfonylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 10344711

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-phenyl-1,3-thiazole-5-carboxamide (CID 1132236) is 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-phenyl-1,3-thiazole-5-carboxamide is Cc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)Nc3ccccc3)s2)cc1.
What is the InChIKey of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is PFAJWVQJQKFRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-12-8-10-15(11-9-12)26(23,24)21-18-19-13(2)16(25-18)17(22)20-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-phenyl-1,3-thiazole-5-carboxamide?
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.81, 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-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1132236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).