3-methyl-5-(methylamino)-N-(4-methylsulfanylphenyl)-1,2-thiazole-4-carboxamide

C13H15N3OS2 — CID 35893942

IUPAC3-methyl-5-(methylamino)-N-(4-methylsulfanylphenyl)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)Nc1ccc(SC)cc1
InChIInChI=1S/C13H15N3OS2/c1-8-11(13(14-2)19-16-8)12(17)15-9-4-6-10(18-3)7-5-9/h4-7,14H,1-3H3,(H,15,17)
InChIKeyCIOFNGQSKFLZBF-UHFFFAOYSA-N
MW293.42 g/mol
LogP3.47
Rot. Bonds4

About 3-methyl-5-(methylamino)-N-(4-methylsulfanylphenyl)-1,2-thiazole-4-carboxamide

3-methyl-5-(methylamino)-N-(4-methylsulfanylphenyl)-1,2-thiazole-4-carboxamide (PubChem CID 35893942) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 3-methyl-5-(methylamino)-N-(4-methylsulfanylphenyl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-(methylamino)-N-(4-methylsulfanylphenyl)-1,2-thiazole-4-carboxamide
PubChem CID35893942
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name3-methyl-5-(methylamino)-N-(4-methylsulfanylphenyl)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)Nc1ccc(SC)cc1
InChIInChI=1S/C13H15N3OS2/c1-8-11(13(14-2)19-16-8)12(17)15-9-4-6-10(18-3)7-5-9/h4-7,14H,1-3H3,(H,15,17)
InChIKeyCIOFNGQSKFLZBF-UHFFFAOYSA-N
XLogP3.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(4-methylsulfanylphenyl)-5-(propanoylamino)-1,2-thiazole-4-carboxamide
CID 3074058
3-methyl-5-(methylamino)-N-(4-propan-2-ylphenyl)-1,2-thiazole-4-carboxamide
CID 25391715
3-methyl-5-(methylamino)-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carboxamide
CID 27449178
3-methyl-5-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-4-carboxamide
CID 35934960
3-methyl-5-(methylamino)-N-[(1S)-1-phenylethyl]-1,2-thiazole-4-carboxamide
CID 34676266
N-[4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]phenyl]acetamide
CID 79375479
1-[3-methyl-5-(3-methylsulfanylanilino)-1,2-thiazol-4-yl]ethanone
CID 79375148
3-methyl-5-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]-1,2-thiazole-4-carboxamide
CID 32991237
3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide
CID 63188297
4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 43980966
1-benzyl-3,5-dimethyl-N-(4-methylsulfanylphenyl)pyrazole-4-carboxamide
CID 9179547
2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide
CID 79809132

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(methylamino)-N-(4-methylsulfanylphenyl)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-5-(methylamino)-N-(4-methylsulfanylphenyl)-1,2-thiazole-4-carboxamide (CID 35893942) is 3-methyl-5-(methylamino)-N-(4-methylsulfanylphenyl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-(methylamino)-N-(4-methylsulfanylphenyl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-(methylamino)-N-(4-methylsulfanylphenyl)-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)Nc1ccc(SC)cc1.
What is the InChIKey of 3-methyl-5-(methylamino)-N-(4-methylsulfanylphenyl)-1,2-thiazole-4-carboxamide?
The InChIKey is CIOFNGQSKFLZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-8-11(13(14-2)19-16-8)12(17)15-9-4-6-10(18-3)7-5-9/h4-7,14H,1-3H3,(H,15,17).
What are the key properties of 3-methyl-5-(methylamino)-N-(4-methylsulfanylphenyl)-1,2-thiazole-4-carboxamide?
3-methyl-5-(methylamino)-N-(4-methylsulfanylphenyl)-1,2-thiazole-4-carboxamide has a molecular weight of 293.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(methylamino)-N-(4-methylsulfanylphenyl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 35893942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).