N-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-3-carboxamide

C15H18N4OS — CID 53164738

IUPACN-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-3-carboxamide
SMILESO=C(Nc1cnc(N2CCCCCC2)nc1)c1ccsc1
InChIInChI=1S/C15H18N4OS/c20-14(12-5-8-21-11-12)18-13-9-16-15(17-10-13)19-6-3-1-2-4-7-19/h5,8-11H,1-4,6-7H2,(H,18,20)
InChIKeySPOOVLJOMUZKDK-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.17
Rot. Bonds3

About N-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-3-carboxamide

N-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-3-carboxamide (PubChem CID 53164738) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-3-carboxamide
PubChem CID53164738
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-3-carboxamide
SMILESO=C(Nc1cnc(N2CCCCCC2)nc1)c1ccsc1
InChIInChI=1S/C15H18N4OS/c20-14(12-5-8-21-11-12)18-13-9-16-15(17-10-13)19-6-3-1-2-4-7-19/h5,8-11H,1-4,6-7H2,(H,18,20)
InChIKeySPOOVLJOMUZKDK-UHFFFAOYSA-N
XLogP3.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(azepan-1-yl)pyrimidin-5-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 N-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-3-carboxamide (CID 53164738) is N-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-3-carboxamide is O=C(Nc1cnc(N2CCCCCC2)nc1)c1ccsc1.
What is the InChIKey of N-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-3-carboxamide?
The InChIKey is SPOOVLJOMUZKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c20-14(12-5-8-21-11-12)18-13-9-16-15(17-10-13)19-6-3-1-2-4-7-19/h5,8-11H,1-4,6-7H2,(H,18,20).
What are the key properties of N-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-3-carboxamide?
N-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-3-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-3-carboxamide is sourced from PubChem (CID 53164738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).