3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone

C13H14N4OS — CID 80619414

IUPAC3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
SMILESCNc1nnc(C(=O)N2CCCc3ccccc32)s1
InChIInChI=1S/C13H14N4OS/c1-14-13-16-15-11(19-13)12(18)17-8-4-6-9-5-2-3-7-10(9)17/h2-3,5,7H,4,6,8H2,1H3,(H,14,16)
InChIKeyMZBVKZGTVGCSCQ-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.17
Rot. Bonds2

About 3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone (PubChem CID 80619414) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
PubChem CID80619414
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
SMILESCNc1nnc(C(=O)N2CCCc3ccccc32)s1
InChIInChI=1S/C13H14N4OS/c1-14-13-16-15-11(19-13)12(18)17-8-4-6-9-5-2-3-7-10(9)17/h2-3,5,7H,4,6,8H2,1H3,(H,14,16)
InChIKeyMZBVKZGTVGCSCQ-UHFFFAOYSA-N
XLogP2.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374099
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 138054103
3,4-dihydro-2H-quinolin-1-yl-[3-(methylamino)-4-pyridinyl]methanone
CID 105068094
3,4-dihydro-2H-quinolin-1-yl-(6-propan-2-ylpyridazin-3-yl)methanone
CID 113200410
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)pyridazin-3-yl]methanone
CID 62172479
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-thiazole-5-carboxylic acid
CID 117214886
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea
CID 47097542
3,4-dihydro-2H-quinolin-1-yl-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
CID 110387133
3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179730
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 19579066
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 2366812

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone (CID 80619414) is 3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone is CNc1nnc(C(=O)N2CCCc3ccccc32)s1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone?
The InChIKey is MZBVKZGTVGCSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-14-13-16-15-11(19-13)12(18)17-8-4-6-9-5-2-3-7-10(9)17/h2-3,5,7H,4,6,8H2,1H3,(H,14,16).
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone has a molecular weight of 274.35 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone is sourced from PubChem (CID 80619414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).