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

C13H14N2OS2 — CID 47097986

IUPAC2,4-dimethyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
SMILESCSc1cccc(NC(=O)c2sc(C)nc2C)c1
InChIInChI=1S/C13H14N2OS2/c1-8-12(18-9(2)14-8)13(16)15-10-5-4-6-11(7-10)17-3/h4-7H,1-3H3,(H,15,16)
InChIKeyKGSODTBJXQUVFN-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.73
Rot. Bonds3

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

2,4-dimethyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 47097986) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2,4-dimethyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID47097986
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC Name2,4-dimethyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
SMILESCSc1cccc(NC(=O)c2sc(C)nc2C)c1
InChIInChI=1S/C13H14N2OS2/c1-8-12(18-9(2)14-8)13(16)15-10-5-4-6-11(7-10)17-3/h4-7H,1-3H3,(H,15,16)
InChIKeyKGSODTBJXQUVFN-UHFFFAOYSA-N
XLogP3.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoroanilino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 30142360
N-(3-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 17399100
2-(furan-2-ylmethylamino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 53152856
2,4-dimethyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119441008
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 86990195
2,4-dimethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 75395351
2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136578426
2,4-dimethyl-N-(3-quinoxalin-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 27195301
5-acetyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide
CID 9072643
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
N-(4-bromo-3-chlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103824607
N-(4-amino-3-chlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 114034039

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide (CID 47097986) is 2,4-dimethyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide is CSc1cccc(NC(=O)c2sc(C)nc2C)c1.
What is the InChIKey of 2,4-dimethyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is KGSODTBJXQUVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS2/c1-8-12(18-9(2)14-8)13(16)15-10-5-4-6-11(7-10)17-3/h4-7H,1-3H3,(H,15,16).
What are the key properties of 2,4-dimethyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47097986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).