3-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine

C12H12FN7S — CID 75454574

IUPAC3-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCN(C)c1nc(Cn2nnnc2-c2ccccc2F)ns1
InChIInChI=1S/C12H12FN7S/c1-19(2)12-14-10(16-21-12)7-20-11(15-17-18-20)8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3
InChIKeySOTPMJFRSGSXGA-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.45
Rot. Bonds4

About 3-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine

3-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine (PubChem CID 75454574) has the molecular formula C12H12FN7S and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
PubChem CID75454574
Molecular FormulaC12H12FN7S
Molecular Weight305.34 g/mol
Exact Mass305.09
IUPAC Name3-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCN(C)c1nc(Cn2nnnc2-c2ccccc2F)ns1
InChIInChI=1S/C12H12FN7S/c1-19(2)12-14-10(16-21-12)7-20-11(15-17-18-20)8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3
InChIKeySOTPMJFRSGSXGA-UHFFFAOYSA-N
XLogP1.45
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine (CID 75454574) is 3-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine is CN(C)c1nc(Cn2nnnc2-c2ccccc2F)ns1.
What is the InChIKey of 3-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is SOTPMJFRSGSXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN7S/c1-19(2)12-14-10(16-21-12)7-20-11(15-17-18-20)8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3.
What are the key properties of 3-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
3-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 305.34 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-fluorophenyl)tetrazol-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 75454574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).