2-(3,4-dihydro-2H-quinolin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

C16H18N2OS — CID 64977604

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESOC1CCCc2sc(N3CCCc4ccccc43)nc21
InChIInChI=1S/C16H18N2OS/c19-13-8-3-9-14-15(13)17-16(20-14)18-10-4-6-11-5-1-2-7-12(11)18/h1-2,5,7,13,19H,3-4,6,8-10H2
InChIKeyCGKTYPMMRMUONL-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.60
Rot. Bonds1

About 2-(3,4-dihydro-2H-quinolin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

2-(3,4-dihydro-2H-quinolin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 64977604) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID64977604
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESOC1CCCc2sc(N3CCCc4ccccc43)nc21
InChIInChI=1S/C16H18N2OS/c19-13-8-3-9-14-15(13)17-16(20-14)18-10-4-6-11-5-1-2-7-12(11)18/h1-2,5,7,13,19H,3-4,6,8-10H2
InChIKeyCGKTYPMMRMUONL-UHFFFAOYSA-N
XLogP3.60
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dihydro-2H-quinolin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol with MolForge

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Related Compounds

2-(1,3-dihydroisoindol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977397
2-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977470
2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64977699
2-(4-ethoxypiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977412
2-(4-tert-butylazepan-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64978094
[4-cyclopropyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63916745
2-(3,4-dihydro-2H-quinolin-1-yl)-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide
CID 58121041
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82161957
[2-(3,4-dihydro-2H-quinolin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 62766572
2-(1,3-dihydroisoindol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64977300
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62763943
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977521

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 64977604) is 2-(3,4-dihydro-2H-quinolin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is OC1CCCc2sc(N3CCCc4ccccc43)nc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is CGKTYPMMRMUONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c19-13-8-3-9-14-15(13)17-16(20-14)18-10-4-6-11-5-1-2-7-12(11)18/h1-2,5,7,13,19H,3-4,6,8-10H2.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
2-(3,4-dihydro-2H-quinolin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 286.40 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 64977604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).