2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

C15H18N2O2S2 — CID 17471212

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCc1ccc(SCCNC(=O)Cn2c(C)csc2=O)cc1
InChIInChI=1S/C15H18N2O2S2/c1-11-3-5-13(6-4-11)20-8-7-16-14(18)9-17-12(2)10-21-15(17)19/h3-6,10H,7-9H2,1-2H3,(H,16,18)
InChIKeyKSOVDPVKKMAXTF-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.44
Rot. Bonds6

About 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (PubChem CID 17471212) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
PubChem CID17471212
Molecular FormulaC15H18N2O2S2
Molecular Weight322.45 g/mol
Exact Mass322.08
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCc1ccc(SCCNC(=O)Cn2c(C)csc2=O)cc1
InChIInChI=1S/C15H18N2O2S2/c1-11-3-5-13(6-4-11)20-8-7-16-14(18)9-17-12(2)10-21-15(17)19/h3-6,10H,7-9H2,1-2H3,(H,16,18)
InChIKeyKSOVDPVKKMAXTF-UHFFFAOYSA-N
XLogP2.44
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-phenylsulfanylethyl)propanamide
CID 27164511
4-methyl-3-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazol-2-one
CID 86908727
tert-butyl N-[2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]ethyl]carbamate
CID 86853820
N-(2-hydroxy-2-methylpropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 65109590
N-butan-2-yl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanamide
CID 87042035
N-[2-(4-methylphenyl)sulfanylethyl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 17471130
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 9490169
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 86920482
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 8950980
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914378
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 32631997
4-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzoic acid
CID 43171939

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (CID 17471212) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is Cc1ccc(SCCNC(=O)Cn2c(C)csc2=O)cc1.
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The InChIKey is KSOVDPVKKMAXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-11-3-5-13(6-4-11)20-8-7-16-14(18)9-17-12(2)10-21-15(17)19/h3-6,10H,7-9H2,1-2H3,(H,16,18).
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide has a molecular weight of 322.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is sourced from PubChem (CID 17471212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).