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

C14H13N5OS — CID 16644458

IUPAC2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
SMILESCc1nnc(NC(=O)c2ccc3nc(C)c(C)nc3c2)s1
InChIInChI=1S/C14H13N5OS/c1-7-8(2)16-12-6-10(4-5-11(12)15-7)13(20)17-14-19-18-9(3)21-14/h4-6H,1-3H3,(H,17,19,20)
InChIKeyZETXMHSIXYCZFU-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.66
Rot. Bonds2

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

2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide (PubChem CID 16644458) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
PubChem CID16644458
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
SMILESCc1nnc(NC(=O)c2ccc3nc(C)c(C)nc3c2)s1
InChIInChI=1S/C14H13N5OS/c1-7-8(2)16-12-6-10(4-5-11(12)15-7)13(20)17-14-19-18-9(3)21-14/h4-6H,1-3H3,(H,17,19,20)
InChIKeyZETXMHSIXYCZFU-UHFFFAOYSA-N
XLogP2.66
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 2449777
N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 134711899
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 741024
ethyl 2-[[5-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 55386656
4-hydroxy-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 113357489
N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108756301
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 17421337
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide
CID 848587
methyl 3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate
CID 46493816
N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide
CID 110485085
4-methyl-2-[(3-methylbenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 3870990

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide (CID 16644458) is 2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide is Cc1nnc(NC(=O)c2ccc3nc(C)c(C)nc3c2)s1.
What is the InChIKey of 2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide?
The InChIKey is ZETXMHSIXYCZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-7-8(2)16-12-6-10(4-5-11(12)15-7)13(20)17-14-19-18-9(3)21-14/h4-6H,1-3H3,(H,17,19,20).
What are the key properties of 2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide?
2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 16644458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).