5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol

C16H20N2OS — CID 115903537

IUPAC5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCc1cnc(C(C)NC2CCCc3cc(O)ccc32)s1
InChIInChI=1S/C16H20N2OS/c1-10-9-17-16(20-10)11(2)18-15-5-3-4-12-8-13(19)6-7-14(12)15/h6-9,11,15,18-19H,3-5H2,1-2H3
InChIKeyYNQCFGRDFSUUJG-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.89
Rot. Bonds3

About 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol

5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 115903537) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID115903537
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCc1cnc(C(C)NC2CCCc3cc(O)ccc32)s1
InChIInChI=1S/C16H20N2OS/c1-10-9-17-16(20-10)11(2)18-15-5-3-4-12-8-13(19)6-7-14(12)15/h6-9,11,15,18-19H,3-5H2,1-2H3
InChIKeyYNQCFGRDFSUUJG-UHFFFAOYSA-N
XLogP3.89
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Related Compounds

5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 81347712
5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 81382181
2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propane-1,3-diol
CID 65310523
8-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106387893
1-(1-cyclohexylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682320
1-(1-thiophen-3-ylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682339
1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682182
5-(pyrimidin-5-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 107588220
tert-butyl N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propyl]carbamate
CID 107248561
1-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,3-dihydro-1H-inden-5-ol
CID 106348642
8-[(1-hydroxy-3-methylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114090991
3-[1-(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)ethyl]phenol
CID 146091697

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 115903537) is 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is Cc1cnc(C(C)NC2CCCc3cc(O)ccc32)s1.
What is the InChIKey of 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is YNQCFGRDFSUUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-10-9-17-16(20-10)11(2)18-15-5-3-4-12-8-13(19)6-7-14(12)15/h6-9,11,15,18-19H,3-5H2,1-2H3.
What are the key properties of 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 288.42 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 115903537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).