2-[5-(1-naphthalen-1-ylnaphthalen-2-yl)-2-pyridinyl]-1,3-thiazole

C28H18N2S — CID 154406495

IUPAC2-[5-(1-naphthalen-1-ylnaphthalen-2-yl)-2-pyridinyl]-1,3-thiazole
SMILESc1ccc2c(-c3c(-c4ccc(-c5nccs5)nc4)ccc4ccccc34)cccc2c1
InChIInChI=1S/C28H18N2S/c1-3-9-22-19(6-1)8-5-11-25(22)27-23-10-4-2-7-20(23)12-14-24(27)21-13-15-26(30-18-21)28-29-16-17-31-28/h1-18H
InChIKeyIBPNOHVCPXYHMI-UHFFFAOYSA-N
MW414.53 g/mol
LogP7.85
Rot. Bonds3

About 2-[5-(1-naphthalen-1-ylnaphthalen-2-yl)-2-pyridinyl]-1,3-thiazole

2-[5-(1-naphthalen-1-ylnaphthalen-2-yl)-2-pyridinyl]-1,3-thiazole (PubChem CID 154406495) has the molecular formula C28H18N2S and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-[5-(1-naphthalen-1-ylnaphthalen-2-yl)-2-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(1-naphthalen-1-ylnaphthalen-2-yl)-2-pyridinyl]-1,3-thiazole
PubChem CID154406495
Molecular FormulaC28H18N2S
Molecular Weight414.53 g/mol
Exact Mass414.12
IUPAC Name2-[5-(1-naphthalen-1-ylnaphthalen-2-yl)-2-pyridinyl]-1,3-thiazole
SMILESc1ccc2c(-c3c(-c4ccc(-c5nccs5)nc4)ccc4ccccc34)cccc2c1
InChIInChI=1S/C28H18N2S/c1-3-9-22-19(6-1)8-5-11-25(22)27-23-10-4-2-7-20(23)12-14-24(27)21-13-15-26(30-18-21)28-29-16-17-31-28/h1-18H
InChIKeyIBPNOHVCPXYHMI-UHFFFAOYSA-N
XLogP7.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-[2-naphthalen-1-yl-10-[5-(1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-oxazole;2-[6-[2-naphthalen-2-yl-10-[5-(1,3-oxazol-2-yl)-2-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-oxazole;2-[6-[2-naphthalen-1-yl-10-[5-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-thiazole;2-[6-[2-(2-phenylphenyl)-10-[5-(1,3-thiazol-2-yl)-2-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-thiazole
CID 158492012
5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-2-pyridin-2-ylpyridine
CID 163823578
2-(4-methoxyphenyl)-1-naphthalen-1-ylnaphthalene
CID 10737250
2-[5-[6-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[7-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[6-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole;2-[5-[7-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole
CID 160896986
4,6-bis[4-[2-[3,5-bis[2-(6-naphthalen-1-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 138744139
[1-[2-(1,3-thiazol-2-yl)naphthalen-1-yl]naphthalen-2-yl] trifluoromethanesulfonate
CID 101384021
2-[5-[2-naphthalen-2-yl-10-[5-(1,3-thiazol-2-yl)-3-pyridinyl]anthracen-9-yl]-3-pyridinyl]-1,3-thiazole
CID 121297736
5-pyren-1-yl-2-(5-pyren-1-yl-2-pyridinyl)pyridine
CID 102448459
[4-[7-(6-naphthalen-1-yl-3-pyridinyl)naphthalen-2-yl]phenyl]phosphane
CID 170290591
2-(2-methyl-6-phenylphenyl)-1,3-thiazole
CID 102473628
2,4-diphenyl-6-(6-picen-4-yl-3-pyridinyl)-1,3,5-triazine
CID 167087504
2-(9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)-5-pyridin-4-ylpyridine
CID 90361809

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-naphthalen-1-ylnaphthalen-2-yl)-2-pyridinyl]-1,3-thiazole?
The IUPAC name of 2-[5-(1-naphthalen-1-ylnaphthalen-2-yl)-2-pyridinyl]-1,3-thiazole (CID 154406495) is 2-[5-(1-naphthalen-1-ylnaphthalen-2-yl)-2-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 2-[5-(1-naphthalen-1-ylnaphthalen-2-yl)-2-pyridinyl]-1,3-thiazole?
The canonical SMILES for 2-[5-(1-naphthalen-1-ylnaphthalen-2-yl)-2-pyridinyl]-1,3-thiazole is c1ccc2c(-c3c(-c4ccc(-c5nccs5)nc4)ccc4ccccc34)cccc2c1.
What is the InChIKey of 2-[5-(1-naphthalen-1-ylnaphthalen-2-yl)-2-pyridinyl]-1,3-thiazole?
The InChIKey is IBPNOHVCPXYHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2S/c1-3-9-22-19(6-1)8-5-11-25(22)27-23-10-4-2-7-20(23)12-14-24(27)21-13-15-26(30-18-21)28-29-16-17-31-28/h1-18H.
What are the key properties of 2-[5-(1-naphthalen-1-ylnaphthalen-2-yl)-2-pyridinyl]-1,3-thiazole?
2-[5-(1-naphthalen-1-ylnaphthalen-2-yl)-2-pyridinyl]-1,3-thiazole has a molecular weight of 414.53 g/mol, XLogP of 7.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-naphthalen-1-ylnaphthalen-2-yl)-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 154406495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).