2-naphthalen-2-yl-4-[phenylmethoxy(1,3-thiazol-5-yl)methyl]benzonitrile

C28H20N2OS — CID 142094131

IUPAC2-naphthalen-2-yl-4-[phenylmethoxy(1,3-thiazol-5-yl)methyl]benzonitrile
SMILESN#Cc1ccc(C(OCc2ccccc2)c2cncs2)cc1-c1ccc2ccccc2c1
InChIInChI=1S/C28H20N2OS/c29-16-25-13-12-24(15-26(25)23-11-10-21-8-4-5-9-22(21)14-23)28(27-17-30-19-32-27)31-18-20-6-2-1-3-7-20/h1-15,17,19,28H,18H2
InChIKeyUTYJYHHDVANILX-UHFFFAOYSA-N
MW432.55 g/mol
LogP7.14
Rot. Bonds6

About 2-naphthalen-2-yl-4-[phenylmethoxy(1,3-thiazol-5-yl)methyl]benzonitrile

2-naphthalen-2-yl-4-[phenylmethoxy(1,3-thiazol-5-yl)methyl]benzonitrile (PubChem CID 142094131) has the molecular formula C28H20N2OS and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-[phenylmethoxy(1,3-thiazol-5-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-[phenylmethoxy(1,3-thiazol-5-yl)methyl]benzonitrile
PubChem CID142094131
Molecular FormulaC28H20N2OS
Molecular Weight432.55 g/mol
Exact Mass432.13
IUPAC Name2-naphthalen-2-yl-4-[phenylmethoxy(1,3-thiazol-5-yl)methyl]benzonitrile
SMILESN#Cc1ccc(C(OCc2ccccc2)c2cncs2)cc1-c1ccc2ccccc2c1
InChIInChI=1S/C28H20N2OS/c29-16-25-13-12-24(15-26(25)23-11-10-21-8-4-5-9-22(21)14-23)28(27-17-30-19-32-27)31-18-20-6-2-1-3-7-20/h1-15,17,19,28H,18H2
InChIKeyUTYJYHHDVANILX-UHFFFAOYSA-N
XLogP7.14
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-[phenylmethoxy(1,3-thiazol-5-yl)methyl]benzonitrile?
The IUPAC name of 2-naphthalen-2-yl-4-[phenylmethoxy(1,3-thiazol-5-yl)methyl]benzonitrile (CID 142094131) is 2-naphthalen-2-yl-4-[phenylmethoxy(1,3-thiazol-5-yl)methyl]benzonitrile.
What is the SMILES notation for 2-naphthalen-2-yl-4-[phenylmethoxy(1,3-thiazol-5-yl)methyl]benzonitrile?
The canonical SMILES for 2-naphthalen-2-yl-4-[phenylmethoxy(1,3-thiazol-5-yl)methyl]benzonitrile is N#Cc1ccc(C(OCc2ccccc2)c2cncs2)cc1-c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-4-[phenylmethoxy(1,3-thiazol-5-yl)methyl]benzonitrile?
The InChIKey is UTYJYHHDVANILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2OS/c29-16-25-13-12-24(15-26(25)23-11-10-21-8-4-5-9-22(21)14-23)28(27-17-30-19-32-27)31-18-20-6-2-1-3-7-20/h1-15,17,19,28H,18H2.
What are the key properties of 2-naphthalen-2-yl-4-[phenylmethoxy(1,3-thiazol-5-yl)methyl]benzonitrile?
2-naphthalen-2-yl-4-[phenylmethoxy(1,3-thiazol-5-yl)methyl]benzonitrile has a molecular weight of 432.55 g/mol, XLogP of 7.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-[phenylmethoxy(1,3-thiazol-5-yl)methyl]benzonitrile is sourced from PubChem (CID 142094131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).