N-(2H-tetrazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C5H4F3N7S — CID 107304878

IUPACN-(2H-tetrazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCc2nn[nH]n2)n1
InChIInChI=1S/C5H4F3N7S/c6-5(7,8)3-10-4(16-13-3)9-1-2-11-14-15-12-2/h1H2,(H,9,10,13)(H,11,12,14,15)
InChIKeySQMDSUKBCQPONG-UHFFFAOYSA-N
MW251.20 g/mol
LogP0.68
Rot. Bonds3

About N-(2H-tetrazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-(2H-tetrazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304878) has the molecular formula C5H4F3N7S and a molecular weight of 251.20 g/mol. Its IUPAC name is N-(2H-tetrazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2H-tetrazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304878
Molecular FormulaC5H4F3N7S
Molecular Weight251.20 g/mol
Exact Mass251.02
IUPAC NameN-(2H-tetrazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCc2nn[nH]n2)n1
InChIInChI=1S/C5H4F3N7S/c6-5(7,8)3-10-4(16-13-3)9-1-2-11-14-15-12-2/h1H2,(H,9,10,13)(H,11,12,14,15)
InChIKeySQMDSUKBCQPONG-UHFFFAOYSA-N
XLogP0.68
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2H-tetrazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304878) is N-(2H-tetrazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2H-tetrazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2H-tetrazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NCc2nn[nH]n2)n1.
What is the InChIKey of N-(2H-tetrazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is SQMDSUKBCQPONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N7S/c6-5(7,8)3-10-4(16-13-3)9-1-2-11-14-15-12-2/h1H2,(H,9,10,13)(H,11,12,14,15).
What are the key properties of N-(2H-tetrazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(2H-tetrazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 251.20 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).