2-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole

C11H12N2S — CID 19911431

IUPAC2-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole
SMILESCc1cc(C)c(-c2nncs2)c(C)c1
InChIInChI=1S/C11H12N2S/c1-7-4-8(2)10(9(3)5-7)11-13-12-6-14-11/h4-6H,1-3H3
InChIKeyKQHLTPSFDHFXPC-UHFFFAOYSA-N
MW204.30 g/mol
LogP3.13
Rot. Bonds1

About 2-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole

2-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole (PubChem CID 19911431) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole
PubChem CID19911431
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name2-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole
SMILESCc1cc(C)c(-c2nncs2)c(C)c1
InChIInChI=1S/C11H12N2S/c1-7-4-8(2)10(9(3)5-7)11-13-12-6-14-11/h4-6H,1-3H3
InChIKeyKQHLTPSFDHFXPC-UHFFFAOYSA-N
XLogP3.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenyl-1,3,4-thiadiazole
CID 199501
5-(3,4-Dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 744074
2-(Methylthio)-5-(P-tolyl)-1,3,4-thiadiazole
CID 3555790
5-Mesityl-1,3,4-thiadiazol-2-amine
CID 3458420
2,3,5-Trimethyl-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenecarbothioamide
CID 20713489
2-Tert-butyl-5-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
CID 89667265
2-Tert-butyl-5-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
CID 89667281
2-[2,4-Bis(trifluoromethyl)phenyl]-5-methyl-1,3,4-thiadiazole
CID 89669255
2-[2,4-Bis(trifluoromethyl)phenyl]-1,3,4-thiadiazole
CID 144284109
2-[3-(Trifluoromethyl)phenyl]-1,3,4-thiadiazole
CID 154271639
2-[2-(Difluoromethyl)phenyl]-1,3,4-thiadiazole
CID 176162719
2-(4-Methylphenyl)-1,3,4-thiadiazole
CID 20427027

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole (CID 19911431) is 2-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole is Cc1cc(C)c(-c2nncs2)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole?
The InChIKey is KQHLTPSFDHFXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-7-4-8(2)10(9(3)5-7)11-13-12-6-14-11/h4-6H,1-3H3.
What are the key properties of 2-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole?
2-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole has a molecular weight of 204.30 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 19911431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).