5-chloro-2-(1-naphthalen-1-ylethyl)-1,2-thiazol-3-one

C15H12ClNOS — CID 15987293

IUPAC5-chloro-2-(1-naphthalen-1-ylethyl)-1,2-thiazol-3-one
SMILESCC(c1cccc2ccccc12)n1sc(Cl)cc1=O
InChIInChI=1S/C15H12ClNOS/c1-10(17-15(18)9-14(16)19-17)12-8-4-6-11-5-2-3-7-13(11)12/h2-10H,1H3
InChIKeyDSEKFELPFGSGBP-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.33
Rot. Bonds2

About 5-chloro-2-(1-naphthalen-1-ylethyl)-1,2-thiazol-3-one

5-chloro-2-(1-naphthalen-1-ylethyl)-1,2-thiazol-3-one (PubChem CID 15987293) has the molecular formula C15H12ClNOS and a molecular weight of 289.79 g/mol. Its IUPAC name is 5-chloro-2-(1-naphthalen-1-ylethyl)-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-chloro-2-(1-naphthalen-1-ylethyl)-1,2-thiazol-3-one
PubChem CID15987293
Molecular FormulaC15H12ClNOS
Molecular Weight289.79 g/mol
Exact Mass289.03
IUPAC Name5-chloro-2-(1-naphthalen-1-ylethyl)-1,2-thiazol-3-one
SMILESCC(c1cccc2ccccc12)n1sc(Cl)cc1=O
InChIInChI=1S/C15H12ClNOS/c1-10(17-15(18)9-14(16)19-17)12-8-4-6-11-5-2-3-7-13(11)12/h2-10H,1H3
InChIKeyDSEKFELPFGSGBP-UHFFFAOYSA-N
XLogP4.33
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[(1R)-1-[[(1R)-1-naphthalen-1-ylethyl]disulfanyl]ethyl]naphthalene
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[1,3-bis[(1R)-1-naphthalen-1-ylethyl]-1,3,2-diazaphosphol-2-yl] trifluoromethanesulfonate
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ethane;methane;1-propan-2-ylnaphthalene
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CID 174906138
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-naphthalen-1-ylethyl)-1,2-thiazol-3-one?
The IUPAC name of 5-chloro-2-(1-naphthalen-1-ylethyl)-1,2-thiazol-3-one (CID 15987293) is 5-chloro-2-(1-naphthalen-1-ylethyl)-1,2-thiazol-3-one.
What is the SMILES notation for 5-chloro-2-(1-naphthalen-1-ylethyl)-1,2-thiazol-3-one?
The canonical SMILES for 5-chloro-2-(1-naphthalen-1-ylethyl)-1,2-thiazol-3-one is CC(c1cccc2ccccc12)n1sc(Cl)cc1=O.
What is the InChIKey of 5-chloro-2-(1-naphthalen-1-ylethyl)-1,2-thiazol-3-one?
The InChIKey is DSEKFELPFGSGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNOS/c1-10(17-15(18)9-14(16)19-17)12-8-4-6-11-5-2-3-7-13(11)12/h2-10H,1H3.
What are the key properties of 5-chloro-2-(1-naphthalen-1-ylethyl)-1,2-thiazol-3-one?
5-chloro-2-(1-naphthalen-1-ylethyl)-1,2-thiazol-3-one has a molecular weight of 289.79 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-naphthalen-1-ylethyl)-1,2-thiazol-3-one is sourced from PubChem (CID 15987293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).