[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol

C17H18N2OS — CID 115335109

IUPAC[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol
SMILESOCC1(Cc2cn3ccsc3n2)CCCc2ccccc21
InChIInChI=1S/C17H18N2OS/c20-12-17(7-3-5-13-4-1-2-6-15(13)17)10-14-11-19-8-9-21-16(19)18-14/h1-2,4,6,8-9,11,20H,3,5,7,10,12H2
InChIKeyLZCKZOQFNKNNEW-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.20
Rot. Bonds3

About [1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol

[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol (PubChem CID 115335109) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is [1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol
PubChem CID115335109
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol
SMILESOCC1(Cc2cn3ccsc3n2)CCCc2ccccc21
InChIInChI=1S/C17H18N2OS/c20-12-17(7-3-5-13-4-1-2-6-15(13)17)10-14-11-19-8-9-21-16(19)18-14/h1-2,4,6,8-9,11,20H,3,5,7,10,12H2
InChIKeyLZCKZOQFNKNNEW-UHFFFAOYSA-N
XLogP3.20
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-ol
CID 115332763
(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
CID 66059601
[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)cyclopentyl]methanol
CID 115331615
[1-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 66058133
[1-[(2-methyltetrazol-5-yl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 107057773
[1-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]cyclohexyl]methanol
CID 103966368
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-[(1-phenylcyclobutyl)methyl]guanidine
CID 111854846
[1-[(3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 66058551
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutyl]-N-methylmethanamine
CID 115334382
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclopentan-1-amine
CID 115333037
6-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113289291
1-(3,4-dihydro-1H-isochromen-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105174033

Frequently Asked Questions

What is the IUPAC name of [1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The IUPAC name of [1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol (CID 115335109) is [1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol.
What is the SMILES notation for [1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The canonical SMILES for [1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol is OCC1(Cc2cn3ccsc3n2)CCCc2ccccc21.
What is the InChIKey of [1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The InChIKey is LZCKZOQFNKNNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c20-12-17(7-3-5-13-4-1-2-6-15(13)17)10-14-11-19-8-9-21-16(19)18-14/h1-2,4,6,8-9,11,20H,3,5,7,10,12H2.
What are the key properties of [1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol has a molecular weight of 298.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanol is sourced from PubChem (CID 115335109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).