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

C17H26FN5S — CID 71000930

IUPAC3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine
SMILESCN(C)CCN(C)c1nsc(NCC(C)(C)c2ccc(F)cc2)n1
InChIInChI=1S/C17H26FN5S/c1-17(2,13-6-8-14(18)9-7-13)12-19-16-20-15(21-24-16)23(5)11-10-22(3)4/h6-9H,10-12H2,1-5H3,(H,19,20,21)
InChIKeyWZWFGQHORDNWQP-UHFFFAOYSA-N
MW351.50 g/mol
LogP3.06
Rot. Bonds8

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

3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine (PubChem CID 71000930) has the molecular formula C17H26FN5S and a molecular weight of 351.50 g/mol. Its IUPAC name is 3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine
PubChem CID71000930
Molecular FormulaC17H26FN5S
Molecular Weight351.50 g/mol
Exact Mass351.19
IUPAC Name3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine
SMILESCN(C)CCN(C)c1nsc(NCC(C)(C)c2ccc(F)cc2)n1
InChIInChI=1S/C17H26FN5S/c1-17(2,13-6-8-14(18)9-7-13)12-19-16-20-15(21-24-16)23(5)11-10-22(3)4/h6-9H,10-12H2,1-5H3,(H,19,20,21)
InChIKeyWZWFGQHORDNWQP-UHFFFAOYSA-N
XLogP3.06
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
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]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine (CID 71000930) is 3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-N-methyl-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]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine is CN(C)CCN(C)c1nsc(NCC(C)(C)c2ccc(F)cc2)n1.
What is the InChIKey of 3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is WZWFGQHORDNWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN5S/c1-17(2,13-6-8-14(18)9-7-13)12-19-16-20-15(21-24-16)23(5)11-10-22(3)4/h6-9H,10-12H2,1-5H3,(H,19,20,21).
What are the key properties of 3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine?
3-N-[2-(dimethylamino)ethyl]-5-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 351.50 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 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]-3-N-methyl-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 71000930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).