1-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine

C16H21N3S — CID 62763943

IUPAC1-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(N2CCCc3ccccc32)sc1CNC
InChIInChI=1S/C16H21N3S/c1-3-13-15(11-17-2)20-16(18-13)19-10-6-8-12-7-4-5-9-14(12)19/h4-5,7,9,17H,3,6,8,10-11H2,1-2H3
InChIKeyZFTVBADSIRSVCN-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.51
Rot. Bonds4

About 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 62763943) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID62763943
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name1-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(N2CCCc3ccccc32)sc1CNC
InChIInChI=1S/C16H21N3S/c1-3-13-15(11-17-2)20-16(18-13)19-10-6-8-12-7-4-5-9-14(12)19/h4-5,7,9,17H,3,6,8,10-11H2,1-2H3
InChIKeyZFTVBADSIRSVCN-UHFFFAOYSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 62763943) is 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine is CCc1nc(N2CCCc3ccccc32)sc1CNC.
What is the InChIKey of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is ZFTVBADSIRSVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-3-13-15(11-17-2)20-16(18-13)19-10-6-8-12-7-4-5-9-14(12)19/h4-5,7,9,17H,3,6,8,10-11H2,1-2H3.
What are the key properties of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 287.43 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 62763943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).