2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone

C14H16N2OS2 — CID 590147

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CSc2nnc(C)s2)c(C)c1
InChIInChI=1S/C14H16N2OS2/c1-8-5-9(2)13(10(3)6-8)12(17)7-18-14-16-15-11(4)19-14/h5-6H,7H2,1-4H3
InChIKeyUVBVSMRNEHTKCD-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.75
Rot. Bonds4

About 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 590147) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID590147
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CSc2nnc(C)s2)c(C)c1
InChIInChI=1S/C14H16N2OS2/c1-8-5-9(2)13(10(3)6-8)12(17)7-18-14-16-15-11(4)19-14/h5-6H,7H2,1-4H3
InChIKeyUVBVSMRNEHTKCD-UHFFFAOYSA-N
XLogP3.75
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone
CID 2086647
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone
CID 5185807
1-(4-Methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 723650
1-(4-Isopropylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethanone
CID 2224324
S-(5-methyl-1,3,4-thiadiazol-2-yl) naphthalene-2-carbothioate
CID 168285688
1-(2,5-Dimethylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethanone
CID 1289618
1-(4-Fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 723651
1-(4-Methylphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone
CID 851794
2-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfinyl]-1-[4-(trifluoromethyl)phenyl]ethanone
CID 90666515
1-(2,4-Dimethylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 798169
2-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone
CID 722458
Cambridge id 6282712
CID 817672

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone (CID 590147) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CSc2nnc(C)s2)c(C)c1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is UVBVSMRNEHTKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-8-5-9(2)13(10(3)6-8)12(17)7-18-14-16-15-11(4)19-14/h5-6H,7H2,1-4H3.
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 292.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 590147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).