2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonylmethyl]-1,3,4-thiadiazole

C9H8F3N3O2S3 — CID 167773941

IUPAC2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonylmethyl]-1,3,4-thiadiazole
SMILESCc1nnc(CS(=O)(=O)Cc2nc(C(F)(F)F)cs2)s1
InChIInChI=1S/C9H8F3N3O2S3/c1-5-14-15-8(19-5)4-20(16,17)3-7-13-6(2-18-7)9(10,11)12/h2H,3-4H2,1H3
InChIKeyMCONZLQOKYMKKJ-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.44
Rot. Bonds4

About 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonylmethyl]-1,3,4-thiadiazole

2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonylmethyl]-1,3,4-thiadiazole (PubChem CID 167773941) has the molecular formula C9H8F3N3O2S3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonylmethyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonylmethyl]-1,3,4-thiadiazole
PubChem CID167773941
Molecular FormulaC9H8F3N3O2S3
Molecular Weight343.38 g/mol
Exact Mass342.97
IUPAC Name2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonylmethyl]-1,3,4-thiadiazole
SMILESCc1nnc(CS(=O)(=O)Cc2nc(C(F)(F)F)cs2)s1
InChIInChI=1S/C9H8F3N3O2S3/c1-5-14-15-8(19-5)4-20(16,17)3-7-13-6(2-18-7)9(10,11)12/h2H,3-4H2,1H3
InChIKeyMCONZLQOKYMKKJ-UHFFFAOYSA-N
XLogP2.44
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonylmethyl]-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonylmethyl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonylmethyl]-1,3,4-thiadiazole (CID 167773941) is 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonylmethyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonylmethyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonylmethyl]-1,3,4-thiadiazole is Cc1nnc(CS(=O)(=O)Cc2nc(C(F)(F)F)cs2)s1.
What is the InChIKey of 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonylmethyl]-1,3,4-thiadiazole?
The InChIKey is MCONZLQOKYMKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O2S3/c1-5-14-15-8(19-5)4-20(16,17)3-7-13-6(2-18-7)9(10,11)12/h2H,3-4H2,1H3.
What are the key properties of 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonylmethyl]-1,3,4-thiadiazole?
2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonylmethyl]-1,3,4-thiadiazole has a molecular weight of 343.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylsulfonylmethyl]-1,3,4-thiadiazole is sourced from PubChem (CID 167773941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).