2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide

C13H14N4OS — CID 22200108

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN1CCCc2ccccc21)Nc1nncs1
InChIInChI=1S/C13H14N4OS/c18-12(15-13-16-14-9-19-13)8-17-7-3-5-10-4-1-2-6-11(10)17/h1-2,4,6,9H,3,5,7-8H2,(H,15,16,18)
InChIKeyXHEPCAQVFSBAIA-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.93
Rot. Bonds3

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 22200108) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID22200108
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN1CCCc2ccccc21)Nc1nncs1
InChIInChI=1S/C13H14N4OS/c18-12(15-13-16-14-9-19-13)8-17-7-3-5-10-4-1-2-6-11(10)17/h1-2,4,6,9H,3,5,7-8H2,(H,15,16,18)
InChIKeyXHEPCAQVFSBAIA-UHFFFAOYSA-N
XLogP1.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47055295
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid
CID 28866702
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 2099393
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 46657943
N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817003
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-methylthiourea
CID 8659375
N-cyclohexyl-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8686666
2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
CID 38707921
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 9258315

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 22200108) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide is O=C(CN1CCCc2ccccc21)Nc1nncs1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is XHEPCAQVFSBAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c18-12(15-13-16-14-9-19-13)8-17-7-3-5-10-4-1-2-6-11(10)17/h1-2,4,6,9H,3,5,7-8H2,(H,15,16,18).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 274.35 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 22200108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).