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

C15H17N3O2S2 — CID 3074058

IUPAC3-methyl-N-(4-methylsulfanylphenyl)-5-(propanoylamino)-1,2-thiazole-4-carboxamide
SMILESCCC(=O)Nc1snc(C)c1C(=O)Nc1ccc(SC)cc1
InChIInChI=1S/C15H17N3O2S2/c1-4-12(19)17-15-13(9(2)18-22-15)14(20)16-10-5-7-11(21-3)8-6-10/h5-8H,4H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyGVTCSRMUYILUFK-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.77
Rot. Bonds5

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

3-methyl-N-(4-methylsulfanylphenyl)-5-(propanoylamino)-1,2-thiazole-4-carboxamide (PubChem CID 3074058) has the molecular formula C15H17N3O2S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-methyl-N-(4-methylsulfanylphenyl)-5-(propanoylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylsulfanylphenyl)-5-(propanoylamino)-1,2-thiazole-4-carboxamide
PubChem CID3074058
Molecular FormulaC15H17N3O2S2
Molecular Weight335.45 g/mol
Exact Mass335.08
IUPAC Name3-methyl-N-(4-methylsulfanylphenyl)-5-(propanoylamino)-1,2-thiazole-4-carboxamide
SMILESCCC(=O)Nc1snc(C)c1C(=O)Nc1ccc(SC)cc1
InChIInChI=1S/C15H17N3O2S2/c1-4-12(19)17-15-13(9(2)18-22-15)14(20)16-10-5-7-11(21-3)8-6-10/h5-8H,4H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyGVTCSRMUYILUFK-UHFFFAOYSA-N
XLogP3.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylsulfanylphenyl)-5-(propanoylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-N-(4-methylsulfanylphenyl)-5-(propanoylamino)-1,2-thiazole-4-carboxamide (CID 3074058) is 3-methyl-N-(4-methylsulfanylphenyl)-5-(propanoylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-methylsulfanylphenyl)-5-(propanoylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-(4-methylsulfanylphenyl)-5-(propanoylamino)-1,2-thiazole-4-carboxamide is CCC(=O)Nc1snc(C)c1C(=O)Nc1ccc(SC)cc1.
What is the InChIKey of 3-methyl-N-(4-methylsulfanylphenyl)-5-(propanoylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is GVTCSRMUYILUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S2/c1-4-12(19)17-15-13(9(2)18-22-15)14(20)16-10-5-7-11(21-3)8-6-10/h5-8H,4H2,1-3H3,(H,16,20)(H,17,19).
What are the key properties of 3-methyl-N-(4-methylsulfanylphenyl)-5-(propanoylamino)-1,2-thiazole-4-carboxamide?
3-methyl-N-(4-methylsulfanylphenyl)-5-(propanoylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylsulfanylphenyl)-5-(propanoylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 3074058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).