4-(6-methoxynaphthalen-2-yl)-2-pyridin-3-yl-1,3-thiazole

C19H14N2OS — CID 2347621

IUPAC4-(6-methoxynaphthalen-2-yl)-2-pyridin-3-yl-1,3-thiazole
SMILESCOc1ccc2cc(-c3csc(-c4cccnc4)n3)ccc2c1
InChIInChI=1S/C19H14N2OS/c1-22-17-7-6-13-9-15(5-4-14(13)10-17)18-12-23-19(21-18)16-3-2-8-20-11-16/h2-12H,1H3
InChIKeyYTUAEVFYNHYGIU-UHFFFAOYSA-N
MW318.40 g/mol
LogP5.03
Rot. Bonds3

About 4-(6-methoxynaphthalen-2-yl)-2-pyridin-3-yl-1,3-thiazole

4-(6-methoxynaphthalen-2-yl)-2-pyridin-3-yl-1,3-thiazole (PubChem CID 2347621) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-(6-methoxynaphthalen-2-yl)-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(6-methoxynaphthalen-2-yl)-2-pyridin-3-yl-1,3-thiazole
PubChem CID2347621
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC Name4-(6-methoxynaphthalen-2-yl)-2-pyridin-3-yl-1,3-thiazole
SMILESCOc1ccc2cc(-c3csc(-c4cccnc4)n3)ccc2c1
InChIInChI=1S/C19H14N2OS/c1-22-17-7-6-13-9-15(5-4-14(13)10-17)18-12-23-19(21-18)16-3-2-8-20-11-16/h2-12H,1H3
InChIKeyYTUAEVFYNHYGIU-UHFFFAOYSA-N
XLogP5.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxynaphthalen-2-yl)-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-(6-methoxynaphthalen-2-yl)-2-pyridin-3-yl-1,3-thiazole (CID 2347621) is 4-(6-methoxynaphthalen-2-yl)-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(6-methoxynaphthalen-2-yl)-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-(6-methoxynaphthalen-2-yl)-2-pyridin-3-yl-1,3-thiazole is COc1ccc2cc(-c3csc(-c4cccnc4)n3)ccc2c1.
What is the InChIKey of 4-(6-methoxynaphthalen-2-yl)-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is YTUAEVFYNHYGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c1-22-17-7-6-13-9-15(5-4-14(13)10-17)18-12-23-19(21-18)16-3-2-8-20-11-16/h2-12H,1H3.
What are the key properties of 4-(6-methoxynaphthalen-2-yl)-2-pyridin-3-yl-1,3-thiazole?
4-(6-methoxynaphthalen-2-yl)-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 318.40 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxynaphthalen-2-yl)-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 2347621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).