N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide

C12H9N5OS — CID 2449777

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
SMILESCc1nnc(NC(=O)c2ccc3nccnc3c2)s1
InChIInChI=1S/C12H9N5OS/c1-7-16-17-12(19-7)15-11(18)8-2-3-9-10(6-8)14-5-4-13-9/h2-6H,1H3,(H,15,17,18)
InChIKeyABJZAXABMNWLTM-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.04
Rot. Bonds2

About N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide (PubChem CID 2449777) has the molecular formula C12H9N5OS and a molecular weight of 271.31 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
PubChem CID2449777
Molecular FormulaC12H9N5OS
Molecular Weight271.31 g/mol
Exact Mass271.05
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
SMILESCc1nnc(NC(=O)c2ccc3nccnc3c2)s1
InChIInChI=1S/C12H9N5OS/c1-7-16-17-12(19-7)15-11(18)8-2-3-9-10(6-8)14-5-4-13-9/h2-6H,1H3,(H,15,17,18)
InChIKeyABJZAXABMNWLTM-UHFFFAOYSA-N
XLogP2.04
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 16644458
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 17421337
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
4-hydroxy-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 113357489
N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 8840391
methyl 3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate
CID 46493816
4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 741024
N-(1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 2983645
N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide
CID 110485085
N-(4-acetyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 60700131
N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 3273240
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 847128

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide (CID 2449777) is N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide is Cc1nnc(NC(=O)c2ccc3nccnc3c2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide?
The InChIKey is ABJZAXABMNWLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5OS/c1-7-16-17-12(19-7)15-11(18)8-2-3-9-10(6-8)14-5-4-13-9/h2-6H,1H3,(H,15,17,18).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide has a molecular weight of 271.31 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 2449777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).