N-ethyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine

C15H20N4S — CID 80606765

IUPACN-ethyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN2CCCc3cc(C)ccc32)s1
InChIInChI=1S/C15H20N4S/c1-3-16-15-18-17-14(20-15)10-19-8-4-5-12-9-11(2)6-7-13(12)19/h6-7,9H,3-5,8,10H2,1-2H3,(H,16,18)
InChIKeyQRVAVXZRZUVMLF-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.23
Rot. Bonds4

About N-ethyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine

N-ethyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80606765) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-ethyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80606765
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC NameN-ethyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN2CCCc3cc(C)ccc32)s1
InChIInChI=1S/C15H20N4S/c1-3-16-15-18-17-14(20-15)10-19-8-4-5-12-9-11(2)6-7-13(12)19/h6-7,9H,3-5,8,10H2,1-2H3,(H,16,18)
InChIKeyQRVAVXZRZUVMLF-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-5-[(6-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
N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103502305
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
N-ethyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridin-4-amine
CID 79244947
N-ethyl-6-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridin-2-amine
CID 79233864
7-methyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 24506874
N-ethyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 80607780
1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-4-methylpyridin-2-one
CID 80608105
N,2-diethyl-2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-amine
CID 63484323
5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 103502310
2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 79317190
N-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-amine
CID 62041176

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 80606765) is N-ethyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(CN2CCCc3cc(C)ccc32)s1.
What is the InChIKey of N-ethyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is QRVAVXZRZUVMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-3-16-15-18-17-14(20-15)10-19-8-4-5-12-9-11(2)6-7-13(12)19/h6-7,9H,3-5,8,10H2,1-2H3,(H,16,18).
What are the key properties of N-ethyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[(6-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 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).