2-[6-(naphthalen-2-ylmethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole

C23H19NOS — CID 15049985

IUPAC2-[6-(naphthalen-2-ylmethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole
SMILESc1ccc2cc(COc3ccc4c(c3)C(c3nccs3)CC4)ccc2c1
InChIInChI=1S/C23H19NOS/c1-2-4-19-13-16(5-6-17(19)3-1)15-25-20-9-7-18-8-10-21(22(18)14-20)23-24-11-12-26-23/h1-7,9,11-14,21H,8,10,15H2
InChIKeySVXSUNCGECYUEH-UHFFFAOYSA-N
MW357.48 g/mol
LogP5.95
Rot. Bonds4

About 2-[6-(naphthalen-2-ylmethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole

2-[6-(naphthalen-2-ylmethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole (PubChem CID 15049985) has the molecular formula C23H19NOS and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-[6-(naphthalen-2-ylmethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[6-(naphthalen-2-ylmethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole
PubChem CID15049985
Molecular FormulaC23H19NOS
Molecular Weight357.48 g/mol
Exact Mass357.12
IUPAC Name2-[6-(naphthalen-2-ylmethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole
SMILESc1ccc2cc(COc3ccc4c(c3)C(c3nccs3)CC4)ccc2c1
InChIInChI=1S/C23H19NOS/c1-2-4-19-13-16(5-6-17(19)3-1)15-25-20-9-7-18-8-10-21(22(18)14-20)23-24-11-12-26-23/h1-7,9,11-14,21H,8,10,15H2
InChIKeySVXSUNCGECYUEH-UHFFFAOYSA-N
XLogP5.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.48
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-Methoxy-1-(3-(2-naphthalenylmethoxy)phenyl)propyl)thiazole
CID 164272
2-{(S)-1-[3-Fluoro-5-(naphthalen-2-ylmethoxy)-phenyl]-1-methoxy-propyl}-thiazole
CID 10069970
1-Methoxy-6-(naphth-2-yl-methoxy)-1-(thiazol-2-yl)indan
CID 131453
1-[3-(Naphthalen-2-ylmethoxy)-phenyl]-1-thiazol-2-yl-butan-1-ol
CID 19773051
2-{1-Methoxy-1-[3-(naphthalen-2-yloxymethyl)-phenyl]-propyl}-thiazole
CID 10362915
2-{(R)-1-[3-Fluoro-5-(naphthalen-2-ylmethoxy)-phenyl]-1-methoxy-propyl}-thiazole
CID 11742136
2-{Methoxy-[3-(naphthalen-2-ylmethoxy)-phenyl]-methyl}-thiazole
CID 15050004
2-{1-Methoxy-1-[3-(naphthalen-2-ylmethoxy)-phenyl]-ethyl}-thiazole
CID 15050005
5-[1-Methoxy-6-(naphthalen-2-ylmethoxy)-indan-1-yl]-thiazole
CID 44273900
2-{(R)-1-Methoxy-1-[2-methyl-3-(naphthalen-2-ylmethoxy)-phenyl]-ethyl}-thiazole
CID 44274250
2-Methyl-1-[3-(naphthalen-2-ylmethoxy)-phenyl]-1-thiazol-2-yl-propan-1-ol
CID 44309358
2-{1-Methoxy-1-[2-methyl-3-(naphthalen-2-ylmethoxy)-phenyl]-ethyl}-thiazole
CID 44321425

Frequently Asked Questions

What is the IUPAC name of 2-[6-(naphthalen-2-ylmethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole?
The IUPAC name of 2-[6-(naphthalen-2-ylmethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole (CID 15049985) is 2-[6-(naphthalen-2-ylmethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[6-(naphthalen-2-ylmethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[6-(naphthalen-2-ylmethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole is c1ccc2cc(COc3ccc4c(c3)C(c3nccs3)CC4)ccc2c1.
What is the InChIKey of 2-[6-(naphthalen-2-ylmethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole?
The InChIKey is SVXSUNCGECYUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NOS/c1-2-4-19-13-16(5-6-17(19)3-1)15-25-20-9-7-18-8-10-21(22(18)14-20)23-24-11-12-26-23/h1-7,9,11-14,21H,8,10,15H2.
What are the key properties of 2-[6-(naphthalen-2-ylmethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole?
2-[6-(naphthalen-2-ylmethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole has a molecular weight of 357.48 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(naphthalen-2-ylmethoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole is sourced from PubChem (CID 15049985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).