5-(3,4-dimethylphenyl)sulfanyl-3-methyl-1,2,4-thiadiazole

C11H12N2S2 — CID 133424667

IUPAC5-(3,4-dimethylphenyl)sulfanyl-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(Sc2ccc(C)c(C)c2)n1
InChIInChI=1S/C11H12N2S2/c1-7-4-5-10(6-8(7)2)14-11-12-9(3)13-15-11/h4-6H,1-3H3
InChIKeyQPPYAKRGGSUHCP-UHFFFAOYSA-N
MW236.37 g/mol
LogP3.61
Rot. Bonds2

About 5-(3,4-dimethylphenyl)sulfanyl-3-methyl-1,2,4-thiadiazole

5-(3,4-dimethylphenyl)sulfanyl-3-methyl-1,2,4-thiadiazole (PubChem CID 133424667) has the molecular formula C11H12N2S2 and a molecular weight of 236.37 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)sulfanyl-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)sulfanyl-3-methyl-1,2,4-thiadiazole
PubChem CID133424667
Molecular FormulaC11H12N2S2
Molecular Weight236.37 g/mol
Exact Mass236.04
IUPAC Name5-(3,4-dimethylphenyl)sulfanyl-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(Sc2ccc(C)c(C)c2)n1
InChIInChI=1S/C11H12N2S2/c1-7-4-5-10(6-8(7)2)14-11-12-9(3)13-15-11/h4-6H,1-3H3
InChIKeyQPPYAKRGGSUHCP-UHFFFAOYSA-N
XLogP3.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]aniline
CID 112648834
1-[5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-nitrophenyl]ethanone
CID 104613962
4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylbenzoic acid
CID 81294447
5-(2,5-difluorophenyl)sulfanyl-3-methyl-1,2,4-thiadiazole
CID 133426349
1-[5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-pyridinyl]propan-1-ol
CID 112586571
1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfanylbenzene
CID 135192592
5-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-3-methyl-1,2,4-thiadiazole
CID 106878344
2-methyl-5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]sulfanyl]benzoic acid
CID 107304572
3,5-dichloro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]aniline
CID 106891371
[2-(3,4-dimethylphenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
CID 107552271
[3-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanamine
CID 102818800
methyl 4-chloro-2-(3,4-dimethylphenyl)sulfanyl-1,3-thiazole-5-carboxylate
CID 60844923

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)sulfanyl-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3,4-dimethylphenyl)sulfanyl-3-methyl-1,2,4-thiadiazole (CID 133424667) is 5-(3,4-dimethylphenyl)sulfanyl-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3,4-dimethylphenyl)sulfanyl-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3,4-dimethylphenyl)sulfanyl-3-methyl-1,2,4-thiadiazole is Cc1nsc(Sc2ccc(C)c(C)c2)n1.
What is the InChIKey of 5-(3,4-dimethylphenyl)sulfanyl-3-methyl-1,2,4-thiadiazole?
The InChIKey is QPPYAKRGGSUHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S2/c1-7-4-5-10(6-8(7)2)14-11-12-9(3)13-15-11/h4-6H,1-3H3.
What are the key properties of 5-(3,4-dimethylphenyl)sulfanyl-3-methyl-1,2,4-thiadiazole?
5-(3,4-dimethylphenyl)sulfanyl-3-methyl-1,2,4-thiadiazole has a molecular weight of 236.37 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)sulfanyl-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 133424667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).