3-methyl-5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxamide

C11H12N2OS3 — CID 70299492

IUPAC3-methyl-5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxamide
SMILESCSc1sc(C(N)=O)c(C)c1-c1csc(C)n1
InChIInChI=1S/C11H12N2OS3/c1-5-8(7-4-16-6(2)13-7)11(15-3)17-9(5)10(12)14/h4H,1-3H3,(H2,12,14)
InChIKeyVJYVPYFFKKRASX-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.31
Rot. Bonds3

About 3-methyl-5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxamide

3-methyl-5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxamide (PubChem CID 70299492) has the molecular formula C11H12N2OS3 and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-methyl-5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxamide
PubChem CID70299492
Molecular FormulaC11H12N2OS3
Molecular Weight284.43 g/mol
Exact Mass284.01
IUPAC Name3-methyl-5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxamide
SMILESCSc1sc(C(N)=O)c(C)c1-c1csc(C)n1
InChIInChI=1S/C11H12N2OS3/c1-5-8(7-4-16-6(2)13-7)11(15-3)17-9(5)10(12)14/h4H,1-3H3,(H2,12,14)
InChIKeyVJYVPYFFKKRASX-UHFFFAOYSA-N
XLogP3.31
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxamide (CID 70299492) is 3-methyl-5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxamide is CSc1sc(C(N)=O)c(C)c1-c1csc(C)n1.
What is the InChIKey of 3-methyl-5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxamide?
The InChIKey is VJYVPYFFKKRASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS3/c1-5-8(7-4-16-6(2)13-7)11(15-3)17-9(5)10(12)14/h4H,1-3H3,(H2,12,14).
What are the key properties of 3-methyl-5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxamide?
3-methyl-5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxamide has a molecular weight of 284.43 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylsulfanyl-4-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 70299492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).