N-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-[1,3]thiazolo[5,4-g]quinolin-2-amine

C19H21N3S — CID 82548883

IUPACN-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-[1,3]thiazolo[5,4-g]quinolin-2-amine
SMILESCNc1nc2cc3c(cc2s1)CCCN3CCc1ccccc1
InChIInChI=1S/C19H21N3S/c1-20-19-21-16-13-17-15(12-18(16)23-19)8-5-10-22(17)11-9-14-6-3-2-4-7-14/h2-4,6-7,12-13H,5,8-11H2,1H3,(H,20,21)
InChIKeyFRAUDOZHNHBXCB-UHFFFAOYSA-N
MW323.46 g/mol
LogP4.33
Rot. Bonds4

About N-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-[1,3]thiazolo[5,4-g]quinolin-2-amine

N-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-[1,3]thiazolo[5,4-g]quinolin-2-amine (PubChem CID 82548883) has the molecular formula C19H21N3S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-[1,3]thiazolo[5,4-g]quinolin-2-amine.

Molecular Properties

Compound NameN-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-[1,3]thiazolo[5,4-g]quinolin-2-amine
PubChem CID82548883
Molecular FormulaC19H21N3S
Molecular Weight323.46 g/mol
Exact Mass323.15
IUPAC NameN-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-[1,3]thiazolo[5,4-g]quinolin-2-amine
SMILESCNc1nc2cc3c(cc2s1)CCCN3CCc1ccccc1
InChIInChI=1S/C19H21N3S/c1-20-19-21-16-13-17-15(12-18(16)23-19)8-5-10-22(17)11-9-14-6-3-2-4-7-14/h2-4,6-7,12-13H,5,8-11H2,1H3,(H,20,21)
InChIKeyFRAUDOZHNHBXCB-UHFFFAOYSA-N
XLogP4.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-[1,3]thiazolo[5,4-g]quinolin-2-amine with MolForge

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Related Compounds

N-methyl-5-(2-methylpropyl)-7,8-dihydro-6H-[1,3]thiazolo[5,4-g]quinolin-2-amine
CID 82548887
N,5-diethyl-7,8-dihydro-6H-[1,3]thiazolo[5,4-g]quinolin-2-amine
CID 82548907
N-(2-phenylethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine
CID 82548504
1-[2-(ethylamino)-7,8-dihydro-6H-[1,3]thiazolo[5,4-g]quinolin-5-yl]ethanone
CID 82549104
N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine
CID 82549612
6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-1,3-benzothiazole
CID 39104953
2-(methylamino)-1,3-benzothiazole-5-carboxylic acid
CID 18377605
[8-methyl-1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-7-yl]methanol
CID 59368748
N-propyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine
CID 82548511
1-(2-phenylethyl)-3-propan-2-ylidenepyrrolidin-2-one
CID 102467762
N-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline
CID 60861432
6-benzyl-N-ethyl-1,3-benzothiazol-2-amine
CID 82548714

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-[1,3]thiazolo[5,4-g]quinolin-2-amine?
The IUPAC name of N-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-[1,3]thiazolo[5,4-g]quinolin-2-amine (CID 82548883) is N-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-[1,3]thiazolo[5,4-g]quinolin-2-amine.
What is the SMILES notation for N-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-[1,3]thiazolo[5,4-g]quinolin-2-amine?
The canonical SMILES for N-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-[1,3]thiazolo[5,4-g]quinolin-2-amine is CNc1nc2cc3c(cc2s1)CCCN3CCc1ccccc1.
What is the InChIKey of N-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-[1,3]thiazolo[5,4-g]quinolin-2-amine?
The InChIKey is FRAUDOZHNHBXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-20-19-21-16-13-17-15(12-18(16)23-19)8-5-10-22(17)11-9-14-6-3-2-4-7-14/h2-4,6-7,12-13H,5,8-11H2,1H3,(H,20,21).
What are the key properties of N-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-[1,3]thiazolo[5,4-g]quinolin-2-amine?
N-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-[1,3]thiazolo[5,4-g]quinolin-2-amine has a molecular weight of 323.46 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-[1,3]thiazolo[5,4-g]quinolin-2-amine is sourced from PubChem (CID 82548883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).