N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

C16H16N2O3S2 — CID 42234848

IUPACN-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)N[C@@H]3C=CS(=O)(=O)C3)c(C)s2)cc1
InChIInChI=1S/C16H16N2O3S2/c1-10-3-5-12(6-4-10)16-18-14(11(2)22-16)15(19)17-13-7-8-23(20,21)9-13/h3-8,13H,9H2,1-2H3,(H,17,19)/t13-/m1/s1
InChIKeyNGXRPRAXHPOREL-CYBMUJFWSA-N
MW348.45 g/mol
LogP2.47
Rot. Bonds3

About N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 42234848) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID42234848
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC NameN-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)N[C@@H]3C=CS(=O)(=O)C3)c(C)s2)cc1
InChIInChI=1S/C16H16N2O3S2/c1-10-3-5-12(6-4-10)16-18-14(11(2)22-16)15(19)17-13-7-8-23(20,21)9-13/h3-8,13H,9H2,1-2H3,(H,17,19)/t13-/m1/s1
InChIKeyNGXRPRAXHPOREL-CYBMUJFWSA-N
XLogP2.47
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 15623088
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide
CID 42569008
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 72874953
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 97122536
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-3-methylbenzamide
CID 81480398
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 99938378
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 60704916
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 70787525
6-(dimethylamino)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridine-3-carboxamide
CID 74243181
2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(4-methylphenyl)acetamide
CID 60693984
2-[4-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]oxan-3-yl]acetic acid
CID 167803172
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 95727324

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 42234848) is N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)N[C@@H]3C=CS(=O)(=O)C3)c(C)s2)cc1.
What is the InChIKey of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NGXRPRAXHPOREL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-10-3-5-12(6-4-10)16-18-14(11(2)22-16)15(19)17-13-7-8-23(20,21)9-13/h3-8,13H,9H2,1-2H3,(H,17,19)/t13-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42234848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).