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

C15H16N6OS — CID 134703656

IUPACN-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-5-carboxamide
SMILESCN(C)CCc1nnc(NC(=O)c2cccc3nccnc23)s1
InChIInChI=1S/C15H16N6OS/c1-21(2)9-6-12-19-20-15(23-12)18-14(22)10-4-3-5-11-13(10)17-8-7-16-11/h3-5,7-8H,6,9H2,1-2H3,(H,18,20,22)
InChIKeyJURBDYVDSCPQOV-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.84
Rot. Bonds5

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

N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-5-carboxamide (PubChem CID 134703656) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-5-carboxamide
PubChem CID134703656
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC NameN-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-5-carboxamide
SMILESCN(C)CCc1nnc(NC(=O)c2cccc3nccnc23)s1
InChIInChI=1S/C15H16N6OS/c1-21(2)9-6-12-19-20-15(23-12)18-14(22)10-4-3-5-11-13(10)17-8-7-16-11/h3-5,7-8H,6,9H2,1-2H3,(H,18,20,22)
InChIKeyJURBDYVDSCPQOV-UHFFFAOYSA-N
XLogP1.84
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoxaline-5-carboxamide
CID 134698300
N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide
CID 24667862
N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 134711899
2-(dimethylamino)-N-(5-octyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 60553366
(E)-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
CID 134700225
4-(difluoromethoxy)-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 134704246
3-hydroxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 103871250
N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 134706002
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 769140
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide
CID 26197202
N-(6-methoxy-1,3-benzothiazol-2-yl)quinoxaline-5-carboxamide
CID 110701475
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 146128553

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-5-carboxamide?
The IUPAC name of N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-5-carboxamide (CID 134703656) is N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-5-carboxamide is CN(C)CCc1nnc(NC(=O)c2cccc3nccnc23)s1.
What is the InChIKey of N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-5-carboxamide?
The InChIKey is JURBDYVDSCPQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-21(2)9-6-12-19-20-15(23-12)18-14(22)10-4-3-5-11-13(10)17-8-7-16-11/h3-5,7-8H,6,9H2,1-2H3,(H,18,20,22).
What are the key properties of N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-5-carboxamide?
N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-5-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 1.84, 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]quinoxaline-5-carboxamide is sourced from PubChem (CID 134703656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).