2-propyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole

C12H11F3N2S — CID 134955904

IUPAC2-propyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
SMILESCCCc1nnc(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C12H11F3N2S/c1-2-3-10-16-17-11(18-10)8-4-6-9(7-5-8)12(13,14)15/h4-7H,2-3H2,1H3
InChIKeyCRMIRDGYFGXDDL-UHFFFAOYSA-N
MW272.30 g/mol
LogP4.18
Rot. Bonds3

About 2-propyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole

2-propyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole (PubChem CID 134955904) has the molecular formula C12H11F3N2S and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-propyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-propyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
PubChem CID134955904
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name2-propyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
SMILESCCCc1nnc(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C12H11F3N2S/c1-2-3-10-16-17-11(18-10)8-4-6-9(7-5-8)12(13,14)15/h4-7H,2-3H2,1H3
InChIKeyCRMIRDGYFGXDDL-UHFFFAOYSA-N
XLogP4.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole
CID 58037272
4-(5-propyl-1,3,4-thiadiazol-2-yl)benzaldehyde
CID 58390902
2-propyl-5-[7-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole
CID 58037401
2-propyl-5-[7-(5-propyl-1,3,4-thiadiazol-2-yl)anthracen-2-yl]-1,3,4-thiadiazole
CID 58037386
[5-(4-propylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 82360100
2-butyl-5-(4-ethylphenyl)-1,3,4-thiadiazole
CID 19880000
4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 141123760
2-[4-[(E)-hex-2-enoxy]phenyl]-5-propyl-1,3,4-thiadiazole
CID 23432245
2-(4-ethylphenyl)-5-propyl-1,3,4-thiadiazole;2-propylbicyclo[2.2.0]hexa-1(4),2,5-triene
CID 19879977
2-butyl-5-[7-(5-butyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-decyl-5-[7-(5-decyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-heptyl-5-[7-(5-heptyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-hexyl-5-[7-(5-hexyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-nonyl-5-[7-(5-nonyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-octyl-5-[7-(5-octyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-pentyl-5-[7-(5-pentyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole;2-propyl-5-[7-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole
CID 161296818
2-[(2-nitrophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
CID 177007553
4-[(1R)-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethyl]morpholine
CID 126437472

Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole?
The IUPAC name of 2-propyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole (CID 134955904) is 2-propyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-propyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-propyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole is CCCc1nnc(-c2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 2-propyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole?
The InChIKey is CRMIRDGYFGXDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c1-2-3-10-16-17-11(18-10)8-4-6-9(7-5-8)12(13,14)15/h4-7H,2-3H2,1H3.
What are the key properties of 2-propyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole?
2-propyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole has a molecular weight of 272.30 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole is sourced from PubChem (CID 134955904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).