4-methyl-N-(4-methylpyrimidin-2-yl)thiophene-3-carboxamide

C11H11N3OS — CID 99842039

IUPAC4-methyl-N-(4-methylpyrimidin-2-yl)thiophene-3-carboxamide
SMILESCc1ccnc(NC(=O)c2cscc2C)n1
InChIInChI=1S/C11H11N3OS/c1-7-5-16-6-9(7)10(15)14-11-12-4-3-8(2)13-11/h3-6H,1-2H3,(H,12,13,14,15)
InChIKeyQPYXPZPONNONMB-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.41
Rot. Bonds2

About 4-methyl-N-(4-methylpyrimidin-2-yl)thiophene-3-carboxamide

4-methyl-N-(4-methylpyrimidin-2-yl)thiophene-3-carboxamide (PubChem CID 99842039) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 4-methyl-N-(4-methylpyrimidin-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-methylpyrimidin-2-yl)thiophene-3-carboxamide
PubChem CID99842039
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name4-methyl-N-(4-methylpyrimidin-2-yl)thiophene-3-carboxamide
SMILESCc1ccnc(NC(=O)c2cscc2C)n1
InChIInChI=1S/C11H11N3OS/c1-7-5-16-6-9(7)10(15)14-11-12-4-3-8(2)13-11/h3-6H,1-2H3,(H,12,13,14,15)
InChIKeyQPYXPZPONNONMB-UHFFFAOYSA-N
XLogP2.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-(4-methylpyrimidin-2-yl)thiophene-3-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 4-methyl-N-(4-methylpyrimidin-2-yl)thiophene-3-carboxamide?
The IUPAC name of 4-methyl-N-(4-methylpyrimidin-2-yl)thiophene-3-carboxamide (CID 99842039) is 4-methyl-N-(4-methylpyrimidin-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-methylpyrimidin-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 4-methyl-N-(4-methylpyrimidin-2-yl)thiophene-3-carboxamide is Cc1ccnc(NC(=O)c2cscc2C)n1.
What is the InChIKey of 4-methyl-N-(4-methylpyrimidin-2-yl)thiophene-3-carboxamide?
The InChIKey is QPYXPZPONNONMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7-5-16-6-9(7)10(15)14-11-12-4-3-8(2)13-11/h3-6H,1-2H3,(H,12,13,14,15).
What are the key properties of 4-methyl-N-(4-methylpyrimidin-2-yl)thiophene-3-carboxamide?
4-methyl-N-(4-methylpyrimidin-2-yl)thiophene-3-carboxamide has a molecular weight of 233.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylpyrimidin-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 99842039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).