N-(1,3-thiazol-2-yl)quinoxaline-6-carboxamide

C12H8N4OS — CID 855426

IUPACN-(1,3-thiazol-2-yl)quinoxaline-6-carboxamide
SMILESO=C(Nc1nccs1)c1ccc2nccnc2c1
InChIInChI=1S/C12H8N4OS/c17-11(16-12-15-5-6-18-12)8-1-2-9-10(7-8)14-4-3-13-9/h1-7H,(H,15,16,17)
InChIKeyGKTOUDJRQSWCBO-UHFFFAOYSA-N
MW256.29 g/mol
LogP2.34
Rot. Bonds2

About N-(1,3-thiazol-2-yl)quinoxaline-6-carboxamide

N-(1,3-thiazol-2-yl)quinoxaline-6-carboxamide (PubChem CID 855426) has the molecular formula C12H8N4OS and a molecular weight of 256.29 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)quinoxaline-6-carboxamide
PubChem CID855426
Molecular FormulaC12H8N4OS
Molecular Weight256.29 g/mol
Exact Mass256.04
IUPAC NameN-(1,3-thiazol-2-yl)quinoxaline-6-carboxamide
SMILESO=C(Nc1nccs1)c1ccc2nccnc2c1
InChIInChI=1S/C12H8N4OS/c17-11(16-12-15-5-6-18-12)8-1-2-9-10(7-8)14-4-3-13-9/h1-7H,(H,15,16,17)
InChIKeyGKTOUDJRQSWCBO-UHFFFAOYSA-N
XLogP2.34
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)quinoxaline-6-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)quinoxaline-6-carboxamide (CID 855426) is N-(1,3-thiazol-2-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)quinoxaline-6-carboxamide is O=C(Nc1nccs1)c1ccc2nccnc2c1.
What is the InChIKey of N-(1,3-thiazol-2-yl)quinoxaline-6-carboxamide?
The InChIKey is GKTOUDJRQSWCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4OS/c17-11(16-12-15-5-6-18-12)8-1-2-9-10(7-8)14-4-3-13-9/h1-7H,(H,15,16,17).
What are the key properties of N-(1,3-thiazol-2-yl)quinoxaline-6-carboxamide?
N-(1,3-thiazol-2-yl)quinoxaline-6-carboxamide has a molecular weight of 256.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 855426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).