N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide

C16H18N6OS — CID 74233745

IUPACN-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC(C)(C)c3nnc(N)s3)cc2nc1C
InChIInChI=1S/C16H18N6OS/c1-8-9(2)19-12-7-10(5-6-11(12)18-8)13(23)20-16(3,4)14-21-22-15(17)24-14/h5-7H,1-4H3,(H2,17,22)(H,20,23)
InChIKeyWGEOUGZTMUVWQQ-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.35
Rot. Bonds3

About N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide

N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 74233745) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID74233745
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC(C)(C)c3nnc(N)s3)cc2nc1C
InChIInChI=1S/C16H18N6OS/c1-8-9(2)19-12-7-10(5-6-11(12)18-8)13(23)20-16(3,4)14-21-22-15(17)24-14/h5-7H,1-4H3,(H2,17,22)(H,20,23)
InChIKeyWGEOUGZTMUVWQQ-UHFFFAOYSA-N
XLogP2.35
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide (CID 74233745) is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NC(C)(C)c3nnc(N)s3)cc2nc1C.
What is the InChIKey of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is WGEOUGZTMUVWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-8-9(2)19-12-7-10(5-6-11(12)18-8)13(23)20-16(3,4)14-21-22-15(17)24-14/h5-7H,1-4H3,(H2,17,22)(H,20,23).
What are the key properties of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide?
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 342.43 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 74233745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).