N-ethyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine

C15H20N4S — CID 80607780

IUPACN-ethyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN2CC(C)Cc3ccccc32)s1
InChIInChI=1S/C15H20N4S/c1-3-16-15-18-17-14(20-15)10-19-9-11(2)8-12-6-4-5-7-13(12)19/h4-7,11H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyPSPXOOOEHCXWSC-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.17
Rot. Bonds4

About N-ethyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine

N-ethyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80607780) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-ethyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80607780
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC NameN-ethyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN2CC(C)Cc3ccccc32)s1
InChIInChI=1S/C15H20N4S/c1-3-16-15-18-17-14(20-15)10-19-9-11(2)8-12-6-4-5-7-13(12)19/h4-7,11H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyPSPXOOOEHCXWSC-UHFFFAOYSA-N
XLogP3.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 104526821
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CID 80609094
N-ethyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 80606765
2-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-2-amine
CID 55222667
N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103502305
3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenol
CID 82981195
N-tert-butyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
CID 63492799
1-(ethylamino)-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 63466352
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)acetonitrile
CID 15304197
1-(4-bromobutyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 63447089
4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbothioamide
CID 63883465
2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]benzenecarbothioamide
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 80607780) is N-ethyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(CN2CC(C)Cc3ccccc32)s1.
What is the InChIKey of N-ethyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is PSPXOOOEHCXWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-3-16-15-18-17-14(20-15)10-19-9-11(2)8-12-6-4-5-7-13(12)19/h4-7,11H,3,8-10H2,1-2H3,(H,16,18).
What are the key properties of N-ethyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 288.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).