2-(2-methyl-1,3-thiazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine

C16H21N3S — CID 106052435

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine
SMILESCc1nc(CCNCC2CNc3ccccc3C2)cs1
InChIInChI=1S/C16H21N3S/c1-12-19-15(11-20-12)6-7-17-9-13-8-14-4-2-3-5-16(14)18-10-13/h2-5,11,13,17-18H,6-10H2,1H3
InChIKeyZAIVZMMWCMOJQW-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.87
Rot. Bonds5

About 2-(2-methyl-1,3-thiazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine

2-(2-methyl-1,3-thiazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine (PubChem CID 106052435) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine
PubChem CID106052435
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine
SMILESCc1nc(CCNCC2CNc3ccccc3C2)cs1
InChIInChI=1S/C16H21N3S/c1-12-19-15(11-20-12)6-7-17-9-13-8-14-4-2-3-5-16(14)18-10-13/h2-5,11,13,17-18H,6-10H2,1H3
InChIKeyZAIVZMMWCMOJQW-UHFFFAOYSA-N
XLogP2.87
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106045174
2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
CID 106902230
N-[(3-methylcyclohexyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103883909
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 71916244
2-(2-methyl-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 103920413
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103629909
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 51092798
N-[(2-cyclopropylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103739282
N-[(4-ethylpiperidin-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106052624
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
N-[(2-chlorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 113222746
1-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopropan-1-amine
CID 106052386

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine (CID 106052435) is 2-(2-methyl-1,3-thiazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine is Cc1nc(CCNCC2CNc3ccccc3C2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine?
The InChIKey is ZAIVZMMWCMOJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-12-19-15(11-20-12)6-7-17-9-13-8-14-4-2-3-5-16(14)18-10-13/h2-5,11,13,17-18H,6-10H2,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine?
2-(2-methyl-1,3-thiazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine has a molecular weight of 287.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine is sourced from PubChem (CID 106052435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).