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

C17H24FN5S — CID 133457119

IUPAC5-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)propyl]-1,3,4-thiadiazol-2-amine
SMILESCC(CNc1nnc(Cc2ccc(F)cc2)s1)N1CCN(C)CC1
InChIInChI=1S/C17H24FN5S/c1-13(23-9-7-22(2)8-10-23)12-19-17-21-20-16(24-17)11-14-3-5-15(18)6-4-14/h3-6,13H,7-12H2,1-2H3,(H,19,21)
InChIKeyOTIYREUMVXEHNL-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.32
Rot. Bonds6

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

5-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)propyl]-1,3,4-thiadiazol-2-amine (PubChem CID 133457119) has the molecular formula C17H24FN5S and a molecular weight of 349.48 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)propyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)propyl]-1,3,4-thiadiazol-2-amine
PubChem CID133457119
Molecular FormulaC17H24FN5S
Molecular Weight349.48 g/mol
Exact Mass349.17
IUPAC Name5-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)propyl]-1,3,4-thiadiazol-2-amine
SMILESCC(CNc1nnc(Cc2ccc(F)cc2)s1)N1CCN(C)CC1
InChIInChI=1S/C17H24FN5S/c1-13(23-9-7-22(2)8-10-23)12-19-17-21-20-16(24-17)11-14-3-5-15(18)6-4-14/h3-6,13H,7-12H2,1-2H3,(H,19,21)
InChIKeyOTIYREUMVXEHNL-UHFFFAOYSA-N
XLogP2.32
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol
CID 133465775
5-[(4-fluorophenyl)methyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3,4-thiadiazol-2-amine
CID 133465938
1-[4-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]piperazin-1-yl]ethanone
CID 133456144
2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-N-propan-2-ylacetamide
CID 133466123
5-[(4-fluorophenyl)methyl]-N-[3-(1-methylpyrazol-4-yl)propyl]-1,3,4-thiadiazol-2-amine
CID 133457420
5-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-1,3,4-thiadiazol-2-amine
CID 133465791
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133466332
N-(2-ethylcyclopropyl)-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133458174
3-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 133456342
5-[(4-fluorophenyl)methyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133456278
5-[(4-fluorophenyl)methyl]-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 133466060
5-methyl-N-(2-piperidin-1-ylpropyl)-1,3,4-thiadiazol-2-amine
CID 65209322

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)propyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)propyl]-1,3,4-thiadiazol-2-amine (CID 133457119) is 5-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)propyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)propyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)propyl]-1,3,4-thiadiazol-2-amine is CC(CNc1nnc(Cc2ccc(F)cc2)s1)N1CCN(C)CC1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)propyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is OTIYREUMVXEHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5S/c1-13(23-9-7-22(2)8-10-23)12-19-17-21-20-16(24-17)11-14-3-5-15(18)6-4-14/h3-6,13H,7-12H2,1-2H3,(H,19,21).
What are the key properties of 5-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)propyl]-1,3,4-thiadiazol-2-amine?
5-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)propyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 349.48 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)propyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133457119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).