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

C10H12ClN3OS — CID 106551266

IUPAC6-chloro-N-(thian-4-yl)pyrazine-2-carboxamide
SMILESO=C(NC1CCSCC1)c1cncc(Cl)n1
InChIInChI=1S/C10H12ClN3OS/c11-9-6-12-5-8(14-9)10(15)13-7-1-3-16-4-2-7/h5-7H,1-4H2,(H,13,15)
InChIKeyPHJFAMIFSHAVHP-UHFFFAOYSA-N
MW257.75 g/mol
LogP1.76
Rot. Bonds2

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

6-chloro-N-(thian-4-yl)pyrazine-2-carboxamide (PubChem CID 106551266) has the molecular formula C10H12ClN3OS and a molecular weight of 257.75 g/mol. Its IUPAC name is 6-chloro-N-(thian-4-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(thian-4-yl)pyrazine-2-carboxamide
PubChem CID106551266
Molecular FormulaC10H12ClN3OS
Molecular Weight257.75 g/mol
Exact Mass257.04
IUPAC Name6-chloro-N-(thian-4-yl)pyrazine-2-carboxamide
SMILESO=C(NC1CCSCC1)c1cncc(Cl)n1
InChIInChI=1S/C10H12ClN3OS/c11-9-6-12-5-8(14-9)10(15)13-7-1-3-16-4-2-7/h5-7H,1-4H2,(H,13,15)
InChIKeyPHJFAMIFSHAVHP-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(thian-4-yl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(thian-4-yl)pyrazine-2-carboxamide (CID 106551266) is 6-chloro-N-(thian-4-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(thian-4-yl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(thian-4-yl)pyrazine-2-carboxamide is O=C(NC1CCSCC1)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(thian-4-yl)pyrazine-2-carboxamide?
The InChIKey is PHJFAMIFSHAVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3OS/c11-9-6-12-5-8(14-9)10(15)13-7-1-3-16-4-2-7/h5-7H,1-4H2,(H,13,15).
What are the key properties of 6-chloro-N-(thian-4-yl)pyrazine-2-carboxamide?
6-chloro-N-(thian-4-yl)pyrazine-2-carboxamide has a molecular weight of 257.75 g/mol, XLogP of 1.76, 2 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-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 106551266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).