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

C7H4F3N3S3 — CID 18708866

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCc1csc(Sc2nnc(C(F)(F)F)s2)n1
InChIInChI=1S/C7H4F3N3S3/c1-3-2-14-5(11-3)16-6-13-12-4(15-6)7(8,9)10/h2H,1H3
InChIKeyALJYITJJUCTBFA-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.47
Rot. Bonds2

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

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 18708866) has the molecular formula C7H4F3N3S3 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID18708866
Molecular FormulaC7H4F3N3S3
Molecular Weight283.32 g/mol
Exact Mass282.95
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCc1csc(Sc2nnc(C(F)(F)F)s2)n1
InChIInChI=1S/C7H4F3N3S3/c1-3-2-14-5(11-3)16-6-13-12-4(15-6)7(8,9)10/h2H,1H3
InChIKeyALJYITJJUCTBFA-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 ≤ 500283.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 18708866) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-(trifluoromethyl)-1,3,4-thiadiazole is Cc1csc(Sc2nnc(C(F)(F)F)s2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is ALJYITJJUCTBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3S3/c1-3-2-14-5(11-3)16-6-13-12-4(15-6)7(8,9)10/h2H,1H3.
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 283.32 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-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 18708866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).