N-(4-methyl-1,3-thiazol-2-yl)-7-(pyrimidine-5-carbonyl)quinoxaline-5-carboxamide

C18H12N6O2S — CID 118400871

IUPACN-(4-methyl-1,3-thiazol-2-yl)-7-(pyrimidine-5-carbonyl)quinoxaline-5-carboxamide
SMILESCc1csc(NC(=O)c2cc(C(=O)c3cncnc3)cc3nccnc23)n1
InChIInChI=1S/C18H12N6O2S/c1-10-8-27-18(23-10)24-17(26)13-4-11(5-14-15(13)22-3-2-21-14)16(25)12-6-19-9-20-7-12/h2-9H,1H3,(H,23,24,26)
InChIKeyCVFJOVXSZUHGLO-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.67
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-7-(pyrimidine-5-carbonyl)quinoxaline-5-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-7-(pyrimidine-5-carbonyl)quinoxaline-5-carboxamide (PubChem CID 118400871) has the molecular formula C18H12N6O2S and a molecular weight of 376.40 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-7-(pyrimidine-5-carbonyl)quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-7-(pyrimidine-5-carbonyl)quinoxaline-5-carboxamide
PubChem CID118400871
Molecular FormulaC18H12N6O2S
Molecular Weight376.40 g/mol
Exact Mass376.07
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-7-(pyrimidine-5-carbonyl)quinoxaline-5-carboxamide
SMILESCc1csc(NC(=O)c2cc(C(=O)c3cncnc3)cc3nccnc23)n1
InChIInChI=1S/C18H12N6O2S/c1-10-8-27-18(23-10)24-17(26)13-4-11(5-14-15(13)22-3-2-21-14)16(25)12-6-19-9-20-7-12/h2-9H,1H3,(H,23,24,26)
InChIKeyCVFJOVXSZUHGLO-UHFFFAOYSA-N
XLogP2.67
TPSA110.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-7-(pyrimidine-5-carbonyl)quinoxaline-5-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-7-(pyrimidine-5-carbonyl)quinoxaline-5-carboxamide (CID 118400871) is N-(4-methyl-1,3-thiazol-2-yl)-7-(pyrimidine-5-carbonyl)quinoxaline-5-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-7-(pyrimidine-5-carbonyl)quinoxaline-5-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-7-(pyrimidine-5-carbonyl)quinoxaline-5-carboxamide is Cc1csc(NC(=O)c2cc(C(=O)c3cncnc3)cc3nccnc23)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-7-(pyrimidine-5-carbonyl)quinoxaline-5-carboxamide?
The InChIKey is CVFJOVXSZUHGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6O2S/c1-10-8-27-18(23-10)24-17(26)13-4-11(5-14-15(13)22-3-2-21-14)16(25)12-6-19-9-20-7-12/h2-9H,1H3,(H,23,24,26).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-7-(pyrimidine-5-carbonyl)quinoxaline-5-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-7-(pyrimidine-5-carbonyl)quinoxaline-5-carboxamide has a molecular weight of 376.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-7-(pyrimidine-5-carbonyl)quinoxaline-5-carboxamide is sourced from PubChem (CID 118400871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).