2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one;ethane

C13H16ClNOS — CID 143601748

IUPAC2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one;ethane
SMILESCC.Cc1cc(-n2scc(C)c2=O)ccc1Cl
InChIInChI=1S/C11H10ClNOS.C2H6/c1-7-5-9(3-4-10(7)12)13-11(14)8(2)6-15-13;1-2/h3-6H,1-2H3;1-2H3
InChIKeyFTHPADFAEGRRNJ-UHFFFAOYSA-N
MW269.80 g/mol
LogP4.20
Rot. Bonds1

About 2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one;ethane

2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one;ethane (PubChem CID 143601748) has the molecular formula C13H16ClNOS and a molecular weight of 269.80 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one;ethane.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one;ethane
PubChem CID143601748
Molecular FormulaC13H16ClNOS
Molecular Weight269.80 g/mol
Exact Mass269.06
IUPAC Name2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one;ethane
SMILESCC.Cc1cc(-n2scc(C)c2=O)ccc1Cl
InChIInChI=1S/C11H10ClNOS.C2H6/c1-7-5-9(3-4-10(7)12)13-11(14)8(2)6-15-13;1-2/h3-6H,1-2H3;1-2H3
InChIKeyFTHPADFAEGRRNJ-UHFFFAOYSA-N
XLogP4.20
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one;ethane?
The IUPAC name of 2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one;ethane (CID 143601748) is 2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one;ethane.
What is the SMILES notation for 2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one;ethane?
The canonical SMILES for 2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one;ethane is CC.Cc1cc(-n2scc(C)c2=O)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one;ethane?
The InChIKey is FTHPADFAEGRRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS.C2H6/c1-7-5-9(3-4-10(7)12)13-11(14)8(2)6-15-13;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of 2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one;ethane?
2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one;ethane has a molecular weight of 269.80 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenyl)-4-methyl-1,2-thiazol-3-one;ethane is sourced from PubChem (CID 143601748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).