N-(5-chloropyrazin-2-yl)-2-methylthiolane-2-carboxamide

C10H12ClN3OS — CID 107595810

IUPACN-(5-chloropyrazin-2-yl)-2-methylthiolane-2-carboxamide
SMILESCC1(C(=O)Nc2cnc(Cl)cn2)CCCS1
InChIInChI=1S/C10H12ClN3OS/c1-10(3-2-4-16-10)9(15)14-8-6-12-7(11)5-13-8/h5-6H,2-4H2,1H3,(H,13,14,15)
InChIKeyCYEWLRSASZRUNS-UHFFFAOYSA-N
MW257.75 g/mol
LogP2.35
Rot. Bonds2

About N-(5-chloropyrazin-2-yl)-2-methylthiolane-2-carboxamide

N-(5-chloropyrazin-2-yl)-2-methylthiolane-2-carboxamide (PubChem CID 107595810) has the molecular formula C10H12ClN3OS and a molecular weight of 257.75 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-2-methylthiolane-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-2-methylthiolane-2-carboxamide
PubChem CID107595810
Molecular FormulaC10H12ClN3OS
Molecular Weight257.75 g/mol
Exact Mass257.04
IUPAC NameN-(5-chloropyrazin-2-yl)-2-methylthiolane-2-carboxamide
SMILESCC1(C(=O)Nc2cnc(Cl)cn2)CCCS1
InChIInChI=1S/C10H12ClN3OS/c1-10(3-2-4-16-10)9(15)14-8-6-12-7(11)5-13-8/h5-6H,2-4H2,1H3,(H,13,14,15)
InChIKeyCYEWLRSASZRUNS-UHFFFAOYSA-N
XLogP2.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.75
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloropyrazin-2-yl)-2-methylthiolane-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 N-(5-chloropyrazin-2-yl)-2-methylthiolane-2-carboxamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)-2-methylthiolane-2-carboxamide (CID 107595810) is N-(5-chloropyrazin-2-yl)-2-methylthiolane-2-carboxamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-2-methylthiolane-2-carboxamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-2-methylthiolane-2-carboxamide is CC1(C(=O)Nc2cnc(Cl)cn2)CCCS1.
What is the InChIKey of N-(5-chloropyrazin-2-yl)-2-methylthiolane-2-carboxamide?
The InChIKey is CYEWLRSASZRUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3OS/c1-10(3-2-4-16-10)9(15)14-8-6-12-7(11)5-13-8/h5-6H,2-4H2,1H3,(H,13,14,15).
What are the key properties of N-(5-chloropyrazin-2-yl)-2-methylthiolane-2-carboxamide?
N-(5-chloropyrazin-2-yl)-2-methylthiolane-2-carboxamide has a molecular weight of 257.75 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrazin-2-yl)-2-methylthiolane-2-carboxamide is sourced from PubChem (CID 107595810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).