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

C7H4F3N3S3 — CID 133382067

IUPAC2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole
SMILESCc1nnc(Sc2nc(C(F)(F)F)cs2)s1
InChIInChI=1S/C7H4F3N3S3/c1-3-12-13-6(15-3)16-5-11-4(2-14-5)7(8,9)10/h2H,1H3
InChIKeyQFVKOJXPABPNRP-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.47
Rot. Bonds2

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

2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole (PubChem CID 133382067) has the molecular formula C7H4F3N3S3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole
PubChem CID133382067
Molecular FormulaC7H4F3N3S3
Molecular Weight283.33 g/mol
Exact Mass282.95
IUPAC Name2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole
SMILESCc1nnc(Sc2nc(C(F)(F)F)cs2)s1
InChIInChI=1S/C7H4F3N3S3/c1-3-12-13-6(15-3)16-5-11-4(2-14-5)7(8,9)10/h2H,1H3
InChIKeyQFVKOJXPABPNRP-UHFFFAOYSA-N
XLogP3.47
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-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]sulfanyl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole (CID 133382067) is 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole is Cc1nnc(Sc2nc(C(F)(F)F)cs2)s1.
What is the InChIKey of 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole?
The InChIKey is QFVKOJXPABPNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3S3/c1-3-12-13-6(15-3)16-5-11-4(2-14-5)7(8,9)10/h2H,1H3.
What are the key properties of 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole?
2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole has a molecular weight of 283.33 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazole is sourced from PubChem (CID 133382067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).