5-methyl-2-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole

C10H12N2S — CID 177150460

IUPAC5-methyl-2-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
SMILESCC1=NNC(c2ccc(C)cc2)S1
InChIInChI=1S/C10H12N2S/c1-7-3-5-9(6-4-7)10-12-11-8(2)13-10/h3-6,10,12H,1-2H3
InChIKeyQQPYXVJSHBQGRU-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.66
Rot. Bonds1

About 5-methyl-2-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole

5-methyl-2-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole (PubChem CID 177150460) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
PubChem CID177150460
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name5-methyl-2-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
SMILESCC1=NNC(c2ccc(C)cc2)S1
InChIInChI=1S/C10H12N2S/c1-7-3-5-9(6-4-7)10-12-11-8(2)13-10/h3-6,10,12H,1-2H3
InChIKeyQQPYXVJSHBQGRU-UHFFFAOYSA-N
XLogP2.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
CID 2871209
N,N-dimethyl-4-[(2S)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]aniline
CID 7083907
(2R)-5-(4-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole
CID 7305321
2,4,6-tris(4-methylphenyl)-1,3,5-dithiazinane
CID 13113995
5-tert-butyl-2-phenyl-2,3-dihydro-1,3,4-thiadiazole
CID 23262634
5-(4-methylphenyl)-2-(6-methylpyridin-1-ium-2-yl)-2,3-dihydro-1,3,4-thiadiazole
CID 4056541
2-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
CID 2871317
(4S)-5,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 11837459
5,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2802161
(2S)-2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole
CID 40650711
2-(4-methylphenyl)-1,3-thiazolidine
CID 2771069
(2R,3R,4R)-2,3-dimethyl-4-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]pentane-1,2,3,4-tetrol
CID 51420708

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole?
The IUPAC name of 5-methyl-2-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole (CID 177150460) is 5-methyl-2-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole is CC1=NNC(c2ccc(C)cc2)S1.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole?
The InChIKey is QQPYXVJSHBQGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-7-3-5-9(6-4-7)10-12-11-8(2)13-10/h3-6,10,12H,1-2H3.
What are the key properties of 5-methyl-2-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole?
5-methyl-2-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole has a molecular weight of 192.29 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole is sourced from PubChem (CID 177150460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).