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

C14H16N2OS2 — CID 2224324

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanone
SMILESCc1nnc(SCC(=O)c2ccc(C(C)C)cc2)s1
InChIInChI=1S/C14H16N2OS2/c1-9(2)11-4-6-12(7-5-11)13(17)8-18-14-16-15-10(3)19-14/h4-7,9H,8H2,1-3H3
InChIKeyRXLQCIXZUVOSII-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.94
Rot. Bonds5

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

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 2224324) 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-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanone
PubChem CID2224324
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanone
SMILESCc1nnc(SCC(=O)c2ccc(C(C)C)cc2)s1
InChIInChI=1S/C14H16N2OS2/c1-9(2)11-4-6-12(7-5-11)13(17)8-18-14-16-15-10(3)19-14/h4-7,9H,8H2,1-3H3
InChIKeyRXLQCIXZUVOSII-UHFFFAOYSA-N
XLogP3.94
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanone (CID 2224324) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanone is Cc1nnc(SCC(=O)c2ccc(C(C)C)cc2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is RXLQCIXZUVOSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-9(2)11-4-6-12(7-5-11)13(17)8-18-14-16-15-10(3)19-14/h4-7,9H,8H2,1-3H3.
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanone?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 292.43 g/mol, XLogP of 3.94, 5 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-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 2224324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).