2-(3-methylnaphthalen-2-yl)-1,3-thiazole

C14H11NS — CID 144827161

IUPAC2-(3-methylnaphthalen-2-yl)-1,3-thiazole
SMILESCc1cc2ccccc2cc1-c1nccs1
InChIInChI=1S/C14H11NS/c1-10-8-11-4-2-3-5-12(11)9-13(10)14-15-6-7-16-14/h2-9H,1H3
InChIKeyLRAMCIMTRCNBMT-UHFFFAOYSA-N
MW225.32 g/mol
LogP4.27
Rot. Bonds1

About 2-(3-methylnaphthalen-2-yl)-1,3-thiazole

2-(3-methylnaphthalen-2-yl)-1,3-thiazole (PubChem CID 144827161) has the molecular formula C14H11NS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-(3-methylnaphthalen-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methylnaphthalen-2-yl)-1,3-thiazole
PubChem CID144827161
Molecular FormulaC14H11NS
Molecular Weight225.32 g/mol
Exact Mass225.06
IUPAC Name2-(3-methylnaphthalen-2-yl)-1,3-thiazole
SMILESCc1cc2ccccc2cc1-c1nccs1
InChIInChI=1S/C14H11NS/c1-10-8-11-4-2-3-5-12(11)9-13(10)14-15-6-7-16-14/h2-9H,1H3
InChIKeyLRAMCIMTRCNBMT-UHFFFAOYSA-N
XLogP4.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylnaphthalen-2-yl)-1,3-thiazole?
The IUPAC name of 2-(3-methylnaphthalen-2-yl)-1,3-thiazole (CID 144827161) is 2-(3-methylnaphthalen-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(3-methylnaphthalen-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(3-methylnaphthalen-2-yl)-1,3-thiazole is Cc1cc2ccccc2cc1-c1nccs1.
What is the InChIKey of 2-(3-methylnaphthalen-2-yl)-1,3-thiazole?
The InChIKey is LRAMCIMTRCNBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NS/c1-10-8-11-4-2-3-5-12(11)9-13(10)14-15-6-7-16-14/h2-9H,1H3.
What are the key properties of 2-(3-methylnaphthalen-2-yl)-1,3-thiazole?
2-(3-methylnaphthalen-2-yl)-1,3-thiazole has a molecular weight of 225.32 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylnaphthalen-2-yl)-1,3-thiazole is sourced from PubChem (CID 144827161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).