4-(5-chlorothiophen-2-yl)pyrimidine-2-carboxamide

C9H6ClN3OS — CID 116904013

IUPAC4-(5-chlorothiophen-2-yl)pyrimidine-2-carboxamide
SMILESNC(=O)c1nccc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C9H6ClN3OS/c10-7-2-1-6(15-7)5-3-4-12-9(13-5)8(11)14/h1-4H,(H2,11,14)
InChIKeyJIQSANXVRZAPBH-UHFFFAOYSA-N
MW239.69 g/mol
LogP1.96
Rot. Bonds2

About 4-(5-chlorothiophen-2-yl)pyrimidine-2-carboxamide

4-(5-chlorothiophen-2-yl)pyrimidine-2-carboxamide (PubChem CID 116904013) has the molecular formula C9H6ClN3OS and a molecular weight of 239.69 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)pyrimidine-2-carboxamide
PubChem CID116904013
Molecular FormulaC9H6ClN3OS
Molecular Weight239.69 g/mol
Exact Mass238.99
IUPAC Name4-(5-chlorothiophen-2-yl)pyrimidine-2-carboxamide
SMILESNC(=O)c1nccc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C9H6ClN3OS/c10-7-2-1-6(15-7)5-3-4-12-9(13-5)8(11)14/h1-4H,(H2,11,14)
InChIKeyJIQSANXVRZAPBH-UHFFFAOYSA-N
XLogP1.96
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.69
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-chlorothiophen-2-yl)pyrimidine-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 4-(5-chlorothiophen-2-yl)pyrimidine-2-carboxamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)pyrimidine-2-carboxamide (CID 116904013) is 4-(5-chlorothiophen-2-yl)pyrimidine-2-carboxamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)pyrimidine-2-carboxamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)pyrimidine-2-carboxamide is NC(=O)c1nccc(-c2ccc(Cl)s2)n1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)pyrimidine-2-carboxamide?
The InChIKey is JIQSANXVRZAPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3OS/c10-7-2-1-6(15-7)5-3-4-12-9(13-5)8(11)14/h1-4H,(H2,11,14).
What are the key properties of 4-(5-chlorothiophen-2-yl)pyrimidine-2-carboxamide?
4-(5-chlorothiophen-2-yl)pyrimidine-2-carboxamide has a molecular weight of 239.69 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)pyrimidine-2-carboxamide is sourced from PubChem (CID 116904013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).