[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl] quinoxaline-2-carboxylate

C15H13N5O3S — CID 23773941

IUPAC[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl] quinoxaline-2-carboxylate
SMILESCc1nnc(NC(=O)C(C)OC(=O)c2cnc3ccccc3n2)s1
InChIInChI=1S/C15H13N5O3S/c1-8(13(21)18-15-20-19-9(2)24-15)23-14(22)12-7-16-10-5-3-4-6-11(10)17-12/h3-8H,1-2H3,(H,18,20,21)
InChIKeyNDVWMPLLTZOPIO-UHFFFAOYSA-N
MW343.37 g/mol
LogP1.97
Rot. Bonds4

About [1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl] quinoxaline-2-carboxylate

[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl] quinoxaline-2-carboxylate (PubChem CID 23773941) has the molecular formula C15H13N5O3S and a molecular weight of 343.37 g/mol. Its IUPAC name is [1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl] quinoxaline-2-carboxylate.

Molecular Properties

Compound Name[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl] quinoxaline-2-carboxylate
PubChem CID23773941
Molecular FormulaC15H13N5O3S
Molecular Weight343.37 g/mol
Exact Mass343.07
IUPAC Name[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl] quinoxaline-2-carboxylate
SMILESCc1nnc(NC(=O)C(C)OC(=O)c2cnc3ccccc3n2)s1
InChIInChI=1S/C15H13N5O3S/c1-8(13(21)18-15-20-19-9(2)24-15)23-14(22)12-7-16-10-5-3-4-6-11(10)17-12/h3-8H,1-2H3,(H,18,20,21)
InChIKeyNDVWMPLLTZOPIO-UHFFFAOYSA-N
XLogP1.97
TPSA106.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl] quinoxaline-2-carboxylate with MolForge

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Related Compounds

[1-(2,3-dimethylanilino)-1-oxopropan-2-yl] quinoxaline-2-carboxylate
CID 23744733
[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] quinoxaline-2-carboxylate
CID 23860175
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] quinoxaline-2-carboxylate
CID 23744736
[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23773927
[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] quinoxaline-2-carboxylate
CID 42884187
ethyl quinoxaline-2-carboxylate
CID 582701
(2R)-2-(4-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7346755
2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2992863
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] quinoxaline-2-carboxylate
CID 30060169
quinoxalin-2-yl quinoxaline-2-carboxylate
CID 177101519
N-(5-octyl-1,3,4-thiadiazol-2-yl)quinoxaline-2-carboxamide
CID 46589806
[1-(carbamoylamino)-1-oxopropan-2-yl] quinoline-2-carboxylate
CID 3388665

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl] quinoxaline-2-carboxylate?
The IUPAC name of [1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl] quinoxaline-2-carboxylate (CID 23773941) is [1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl] quinoxaline-2-carboxylate.
What is the SMILES notation for [1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl] quinoxaline-2-carboxylate?
The canonical SMILES for [1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl] quinoxaline-2-carboxylate is Cc1nnc(NC(=O)C(C)OC(=O)c2cnc3ccccc3n2)s1.
What is the InChIKey of [1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl] quinoxaline-2-carboxylate?
The InChIKey is NDVWMPLLTZOPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3S/c1-8(13(21)18-15-20-19-9(2)24-15)23-14(22)12-7-16-10-5-3-4-6-11(10)17-12/h3-8H,1-2H3,(H,18,20,21).
What are the key properties of [1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl] quinoxaline-2-carboxylate?
[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl] quinoxaline-2-carboxylate has a molecular weight of 343.37 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl] quinoxaline-2-carboxylate is sourced from PubChem (CID 23773941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).