1-[2-(1,3-thiazol-2-yl)naphthalen-1-yl]naphthalen-2-ol

C23H15NOS — CID 136823416

IUPAC1-[2-(1,3-thiazol-2-yl)naphthalen-1-yl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1c(-c2nccs2)ccc2ccccc12
InChIInChI=1S/C23H15NOS/c25-20-12-10-16-6-2-4-8-18(16)22(20)21-17-7-3-1-5-15(17)9-11-19(21)23-24-13-14-26-23/h1-14,25H
InChIKeyAQBGJHMOMOKIMS-UHFFFAOYSA-N
MW353.45 g/mol
LogP6.49
Rot. Bonds2

About 1-[2-(1,3-thiazol-2-yl)naphthalen-1-yl]naphthalen-2-ol

1-[2-(1,3-thiazol-2-yl)naphthalen-1-yl]naphthalen-2-ol (PubChem CID 136823416) has the molecular formula C23H15NOS and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-[2-(1,3-thiazol-2-yl)naphthalen-1-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[2-(1,3-thiazol-2-yl)naphthalen-1-yl]naphthalen-2-ol
PubChem CID136823416
Molecular FormulaC23H15NOS
Molecular Weight353.45 g/mol
Exact Mass353.09
IUPAC Name1-[2-(1,3-thiazol-2-yl)naphthalen-1-yl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1-c1c(-c2nccs2)ccc2ccccc12
InChIInChI=1S/C23H15NOS/c25-20-12-10-16-6-2-4-8-18(16)22(20)21-17-7-3-1-5-15(17)9-11-19(21)23-24-13-14-26-23/h1-14,25H
InChIKeyAQBGJHMOMOKIMS-UHFFFAOYSA-N
XLogP6.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.45
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-thiazol-2-yl)naphthalen-1-yl]naphthalen-2-ol?
The IUPAC name of 1-[2-(1,3-thiazol-2-yl)naphthalen-1-yl]naphthalen-2-ol (CID 136823416) is 1-[2-(1,3-thiazol-2-yl)naphthalen-1-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[2-(1,3-thiazol-2-yl)naphthalen-1-yl]naphthalen-2-ol?
The canonical SMILES for 1-[2-(1,3-thiazol-2-yl)naphthalen-1-yl]naphthalen-2-ol is Oc1ccc2ccccc2c1-c1c(-c2nccs2)ccc2ccccc12.
What is the InChIKey of 1-[2-(1,3-thiazol-2-yl)naphthalen-1-yl]naphthalen-2-ol?
The InChIKey is AQBGJHMOMOKIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NOS/c25-20-12-10-16-6-2-4-8-18(16)22(20)21-17-7-3-1-5-15(17)9-11-19(21)23-24-13-14-26-23/h1-14,25H.
What are the key properties of 1-[2-(1,3-thiazol-2-yl)naphthalen-1-yl]naphthalen-2-ol?
1-[2-(1,3-thiazol-2-yl)naphthalen-1-yl]naphthalen-2-ol has a molecular weight of 353.45 g/mol, XLogP of 6.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-thiazol-2-yl)naphthalen-1-yl]naphthalen-2-ol is sourced from PubChem (CID 136823416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).