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

C17H20N6OS — CID 134711899

IUPACN-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3nnc(CCN(C)C)s3)cc2nc1C
InChIInChI=1S/C17H20N6OS/c1-10-11(2)19-14-9-12(5-6-13(14)18-10)16(24)20-17-22-21-15(25-17)7-8-23(3)4/h5-6,9H,7-8H2,1-4H3,(H,20,22,24)
InChIKeyMSYMIJTVTATYSA-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.45
Rot. Bonds5

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

N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 134711899) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID134711899
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC NameN-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3nnc(CCN(C)C)s3)cc2nc1C
InChIInChI=1S/C17H20N6OS/c1-10-11(2)19-14-9-12(5-6-13(14)18-10)16(24)20-17-22-21-15(25-17)7-8-23(3)4/h5-6,9H,7-8H2,1-4H3,(H,20,22,24)
InChIKeyMSYMIJTVTATYSA-UHFFFAOYSA-N
XLogP2.45
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108756301
4-(difluoromethoxy)-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 134704246
N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4062520
ethyl 2-[[5-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 55386656
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 743085
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
2-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 110451327
4-methoxy-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3732616
N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-5-carboxamide
CID 134703656
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
3-methyl-N-[5-[2-[2-[5-[(3-methylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethoxy]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3101002

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide (CID 134711899) is N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)Nc3nnc(CCN(C)C)s3)cc2nc1C.
What is the InChIKey of N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is MSYMIJTVTATYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-10-11(2)19-14-9-12(5-6-13(14)18-10)16(24)20-17-22-21-15(25-17)7-8-23(3)4/h5-6,9H,7-8H2,1-4H3,(H,20,22,24).
What are the key properties of N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide?
N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 356.46 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 134711899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).