3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazole-3,5-diamine

C16H24FN5S — CID 70974847

IUPAC3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazole-3,5-diamine
SMILESCN(C)CCNc1nsc(NCC(C)(C)c2ccc(F)cc2)n1
InChIInChI=1S/C16H24FN5S/c1-16(2,12-5-7-13(17)8-6-12)11-19-15-20-14(21-23-15)18-9-10-22(3)4/h5-8H,9-11H2,1-4H3,(H2,18,19,20,21)
InChIKeyAVLQTVNRHFTXJU-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.04
Rot. Bonds8

About 3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazole-3,5-diamine

3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazole-3,5-diamine (PubChem CID 70974847) has the molecular formula C16H24FN5S and a molecular weight of 337.47 g/mol. Its IUPAC name is 3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazole-3,5-diamine
PubChem CID70974847
Molecular FormulaC16H24FN5S
Molecular Weight337.47 g/mol
Exact Mass337.17
IUPAC Name3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazole-3,5-diamine
SMILESCN(C)CCNc1nsc(NCC(C)(C)c2ccc(F)cc2)n1
InChIInChI=1S/C16H24FN5S/c1-16(2,12-5-7-13(17)8-6-12)11-19-15-20-14(21-23-15)18-9-10-22(3)4/h5-8H,9-11H2,1-4H3,(H2,18,19,20,21)
InChIKeyAVLQTVNRHFTXJU-UHFFFAOYSA-N
XLogP3.04
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazole-3,5-diamine (CID 70974847) is 3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazole-3,5-diamine is CN(C)CCNc1nsc(NCC(C)(C)c2ccc(F)cc2)n1.
What is the InChIKey of 3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is AVLQTVNRHFTXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN5S/c1-16(2,12-5-7-13(17)8-6-12)11-19-15-20-14(21-23-15)18-9-10-22(3)4/h5-8H,9-11H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazole-3,5-diamine?
3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 337.47 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 70974847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).