2-(4-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole

C10H10N2S2 — CID 3555790

IUPAC2-(4-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(-c2ccc(C)cc2)s1
InChIInChI=1S/C10H10N2S2/c1-7-3-5-8(6-4-7)9-11-12-10(13-2)14-9/h3-6H,1-2H3
InChIKeyNCQCGMKVBVCOJR-UHFFFAOYSA-N
MW222.34 g/mol
LogP3.24
Rot. Bonds2

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

2-(4-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole (PubChem CID 3555790) has the molecular formula C10H10N2S2 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole
PubChem CID3555790
Molecular FormulaC10H10N2S2
Molecular Weight222.34 g/mol
Exact Mass222.03
IUPAC Name2-(4-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(-c2ccc(C)cc2)s1
InChIInChI=1S/C10H10N2S2/c1-7-3-5-8(6-4-7)9-11-12-10(13-2)14-9/h3-6H,1-2H3
InChIKeyNCQCGMKVBVCOJR-UHFFFAOYSA-N
XLogP3.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-bis(4-methylphenyl)-1,3,4-thiadiazole
CID 12680531
2-methyl-5-[4-(4-methylphenyl)phenyl]-1,3,4-thiadiazole
CID 22899617
2-[1-(4-methylphenyl)ethylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 54320433
methyl 2-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
CID 23007021
5-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 115382763
5-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 177128149
2-(4-methylphenyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 176952533
N-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 156770995
2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol
CID 123885731
ethane;2-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-2-ol
CID 144948289
N-(4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2668647
(2R)-1,2-bis(4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 7820386

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole (CID 3555790) is 2-(4-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole is CSc1nnc(-c2ccc(C)cc2)s1.
What is the InChIKey of 2-(4-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole?
The InChIKey is NCQCGMKVBVCOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S2/c1-7-3-5-8(6-4-7)9-11-12-10(13-2)14-9/h3-6H,1-2H3.
What are the key properties of 2-(4-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole?
2-(4-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole has a molecular weight of 222.34 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 3555790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).