2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;pentane

C9H15F3N2S — CID 143473767

IUPAC2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;pentane
SMILESCCCCC.Cc1nnc(C(F)(F)F)s1
InChIInChI=1S/C5H12.C4H3F3N2S/c1-3-5-4-2;1-2-8-9-3(10-2)4(5,6)7/h3-5H2,1-2H3;1H3
InChIKeyBNLBLOXSUMPNET-UHFFFAOYSA-N
MW240.29 g/mol
LogP4.06
Rot. Bonds2

About 2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;pentane

2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;pentane (PubChem CID 143473767) has the molecular formula C9H15F3N2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;pentane.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;pentane
PubChem CID143473767
Molecular FormulaC9H15F3N2S
Molecular Weight240.29 g/mol
Exact Mass240.09
IUPAC Name2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;pentane
SMILESCCCCC.Cc1nnc(C(F)(F)F)s1
InChIInChI=1S/C5H12.C4H3F3N2S/c1-3-5-4-2;1-2-8-9-3(10-2)4(5,6)7/h3-5H2,1-2H3;1H3
InChIKeyBNLBLOXSUMPNET-UHFFFAOYSA-N
XLogP4.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 19426259
2-(Difluoromethyl)-5-methyl-1,3,4-thiadiazole
CID 59049205
2-Ethyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 59964275
Azane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 69158828
2-Pentan-3-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 70672393
2-Methyl-5-[1-[2-(trifluoromethylsulfanyl)ethylsulfanyl]ethyl]-1,3,4-thiadiazole
CID 71004644
2-(Trifluoromethyl)-5-[1-[2-(trifluoromethylsulfanyl)ethylsulfanyl]ethyl]-1,3,4-thiadiazole
CID 87289392
2-(Fluoromethyl)-5-methyl-1,3,4-thiadiazole
CID 89222789
2-(1,1-Difluoroethyl)-5-methyl-1,3,4-thiadiazole
CID 89890720
2-Butyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 139526460
Ethane;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 143140609
2-(Difluoromethyl)-5-ethyl-1,3,4-thiadiazole
CID 155399868

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;pentane?
The IUPAC name of 2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;pentane (CID 143473767) is 2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;pentane.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;pentane?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;pentane is CCCCC.Cc1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;pentane?
The InChIKey is BNLBLOXSUMPNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C4H3F3N2S/c1-3-5-4-2;1-2-8-9-3(10-2)4(5,6)7/h3-5H2,1-2H3;1H3.
What are the key properties of 2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;pentane?
2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;pentane has a molecular weight of 240.29 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole;pentane is sourced from PubChem (CID 143473767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).