2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone

C16H13NOS — CID 60976974

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone
SMILESCc1csc(CC(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C16H13NOS/c1-11-10-19-16(17-11)9-15(18)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,10H,9H2,1H3
InChIKeyCVDQTHIZQOWJHY-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.03
Rot. Bonds3

About 2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone

2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone (PubChem CID 60976974) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone
PubChem CID60976974
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone
SMILESCc1csc(CC(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C16H13NOS/c1-11-10-19-16(17-11)9-15(18)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,10H,9H2,1H3
InChIKeyCVDQTHIZQOWJHY-UHFFFAOYSA-N
XLogP4.03
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Methyl-1,3-thiazol-2-yl)-1-phenylethanone
CID 54372899
Phenacyldimethylthiazolium chloride
CID 56968494
2-(2,3-Dimethyl-1,3-thiazol-3-ium-4-yl)-1-phenylethanone
CID 56968495
2-(4-Tert-butyl-1,3-thiazol-2-yl)-3-oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile
CID 57240652
1-(4-Fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 60977242
(4-Fluorophenyl)-[2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]azulen-1-yl]methanone
CID 90142494
2-(2-Tert-butyl-1,3-thiazol-4-yl)-3-oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile
CID 123787715
2-[3-Methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl]benzamide
CID 140140206
1-[2-Methyl-3-[5-propan-2-yl-2-(trifluoromethyl)phenyl]phenyl]-2-(1,3-thiazol-4-yl)propan-1-one
CID 141135333
2-[4-(2,6-Difluorophenyl)-1,3-thiazol-2-yl]-2-fluoro-1-[2-(trifluoromethyl)phenyl]ethanone
CID 142097066
2-[4-(2,6-Difluorophenyl)-1,3-thiazol-2-yl]-1-[2-(trifluoromethyl)phenyl]ethanone;ethane
CID 142097069
2-[4-[(3E,5E)-3,5-difluorohepta-1,3,5-trien-4-yl]-1,3-thiazol-2-yl]-1-[2-(trifluoromethyl)phenyl]ethanone
CID 142097070

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone (CID 60976974) is 2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone is Cc1csc(CC(=O)c2ccc3ccccc3c2)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone?
The InChIKey is CVDQTHIZQOWJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c1-11-10-19-16(17-11)9-15(18)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,10H,9H2,1H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone?
2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone has a molecular weight of 267.35 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone is sourced from PubChem (CID 60976974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).