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

C9H10ClN3OS — CID 107595679

IUPACN-(5-chloropyrazin-2-yl)thiolane-2-carboxamide
SMILESO=C(Nc1cnc(Cl)cn1)C1CCCS1
InChIInChI=1S/C9H10ClN3OS/c10-7-4-12-8(5-11-7)13-9(14)6-2-1-3-15-6/h4-6H,1-3H2,(H,12,13,14)
InChIKeyNQIJMCMWPOZLSO-UHFFFAOYSA-N
MW243.72 g/mol
LogP1.96
Rot. Bonds2

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

N-(5-chloropyrazin-2-yl)thiolane-2-carboxamide (PubChem CID 107595679) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)thiolane-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)thiolane-2-carboxamide
PubChem CID107595679
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC NameN-(5-chloropyrazin-2-yl)thiolane-2-carboxamide
SMILESO=C(Nc1cnc(Cl)cn1)C1CCCS1
InChIInChI=1S/C9H10ClN3OS/c10-7-4-12-8(5-11-7)13-9(14)6-2-1-3-15-6/h4-6H,1-3H2,(H,12,13,14)
InChIKeyNQIJMCMWPOZLSO-UHFFFAOYSA-N
XLogP1.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloropyrazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 107595812
N-(5-chloropyrazin-2-yl)-4-methylcyclohexane-1-carboxamide
CID 107595689
N'-(5-chloropyrazin-2-yl)cyclopropanecarbohydrazide
CID 134542828
N-(6-chloro-5-methyl-3-pyridinyl)thiolane-2-carboxamide
CID 103745323
N-(5-bromo-6-chloro-3-pyridinyl)thiane-2-carboxamide
CID 104624709
N-(5-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 107595846
N-(5-chloropyrazin-2-yl)-2-methylthiolane-2-carboxamide
CID 107595810
3-(thiolane-2-carbonylamino)pyridine-2-carboxylic acid
CID 104740447
N-(4-ethyl-1H-pyrazol-5-yl)thiolane-2-carboxamide
CID 115692476
N-(4-propan-2-ylphenyl)thiolane-2-carboxamide
CID 110858135
N-(1H-pyrazol-5-yl)thiane-2-carboxamide
CID 80595534
N-(4-amino-1H-pyrazol-5-yl)thiane-2-carboxamide
CID 80594665

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)thiolane-2-carboxamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)thiolane-2-carboxamide (CID 107595679) is N-(5-chloropyrazin-2-yl)thiolane-2-carboxamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)thiolane-2-carboxamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)thiolane-2-carboxamide is O=C(Nc1cnc(Cl)cn1)C1CCCS1.
What is the InChIKey of N-(5-chloropyrazin-2-yl)thiolane-2-carboxamide?
The InChIKey is NQIJMCMWPOZLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c10-7-4-12-8(5-11-7)13-9(14)6-2-1-3-15-6/h4-6H,1-3H2,(H,12,13,14).
What are the key properties of N-(5-chloropyrazin-2-yl)thiolane-2-carboxamide?
N-(5-chloropyrazin-2-yl)thiolane-2-carboxamide has a molecular weight of 243.72 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 N-(5-chloropyrazin-2-yl)thiolane-2-carboxamide is sourced from PubChem (CID 107595679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).