6-chloro-N-(thian-4-ylmethyl)pyrazine-2-carboxamide

C11H14ClN3OS — CID 106551347

IUPAC6-chloro-N-(thian-4-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCC1CCSCC1)c1cncc(Cl)n1
InChIInChI=1S/C11H14ClN3OS/c12-10-7-13-6-9(15-10)11(16)14-5-8-1-3-17-4-2-8/h6-8H,1-5H2,(H,14,16)
InChIKeyLFKOJGORGIAPII-UHFFFAOYSA-N
MW271.77 g/mol
LogP2.00
Rot. Bonds3

About 6-chloro-N-(thian-4-ylmethyl)pyrazine-2-carboxamide

6-chloro-N-(thian-4-ylmethyl)pyrazine-2-carboxamide (PubChem CID 106551347) has the molecular formula C11H14ClN3OS and a molecular weight of 271.77 g/mol. Its IUPAC name is 6-chloro-N-(thian-4-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(thian-4-ylmethyl)pyrazine-2-carboxamide
PubChem CID106551347
Molecular FormulaC11H14ClN3OS
Molecular Weight271.77 g/mol
Exact Mass271.05
IUPAC Name6-chloro-N-(thian-4-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCC1CCSCC1)c1cncc(Cl)n1
InChIInChI=1S/C11H14ClN3OS/c12-10-7-13-6-9(15-10)11(16)14-5-8-1-3-17-4-2-8/h6-8H,1-5H2,(H,14,16)
InChIKeyLFKOJGORGIAPII-UHFFFAOYSA-N
XLogP2.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(4-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 106551213
6-chloro-N-(thian-4-yl)pyrazine-2-carboxamide
CID 106551266
6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrazine-2-carboxamide
CID 106551339
6-chloro-N-[2-(cyclopropylmethoxy)ethyl]pyrazine-2-carboxamide
CID 106551316
2-chloro-N-(thian-4-ylmethyl)pyridine-4-carboxamide
CID 115625144
6-bromo-N-(thian-4-ylmethyl)pyridine-2-carboxamide
CID 103889926
6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrazine-2-carboxamide
CID 106551219
3-fluoro-N-(thian-4-ylmethyl)pyridine-4-carboxamide
CID 115646155
6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide
CID 103187307
5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide
CID 107236593
6-chloro-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 103187169
N-(azetidin-3-yl)-6-chloropyrazine-2-carboxamide;hydrochloride
CID 118279228

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(thian-4-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(thian-4-ylmethyl)pyrazine-2-carboxamide (CID 106551347) is 6-chloro-N-(thian-4-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(thian-4-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(thian-4-ylmethyl)pyrazine-2-carboxamide is O=C(NCC1CCSCC1)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(thian-4-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is LFKOJGORGIAPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3OS/c12-10-7-13-6-9(15-10)11(16)14-5-8-1-3-17-4-2-8/h6-8H,1-5H2,(H,14,16).
What are the key properties of 6-chloro-N-(thian-4-ylmethyl)pyrazine-2-carboxamide?
6-chloro-N-(thian-4-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 271.77 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(thian-4-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 106551347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).