4-(4-fluorophenyl)-N-(1-prop-2-enylpiperidin-4-yl)-1,3-thiazol-2-amine

C17H20FN3S — CID 133372461

IUPAC4-(4-fluorophenyl)-N-(1-prop-2-enylpiperidin-4-yl)-1,3-thiazol-2-amine
SMILESC=CCN1CCC(Nc2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C17H20FN3S/c1-2-9-21-10-7-15(8-11-21)19-17-20-16(12-22-17)13-3-5-14(18)6-4-13/h2-6,12,15H,1,7-11H2,(H,19,20)
InChIKeyOTQBPOBTTYCGMZ-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.01
Rot. Bonds5

About 4-(4-fluorophenyl)-N-(1-prop-2-enylpiperidin-4-yl)-1,3-thiazol-2-amine

4-(4-fluorophenyl)-N-(1-prop-2-enylpiperidin-4-yl)-1,3-thiazol-2-amine (PubChem CID 133372461) has the molecular formula C17H20FN3S and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(1-prop-2-enylpiperidin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(1-prop-2-enylpiperidin-4-yl)-1,3-thiazol-2-amine
PubChem CID133372461
Molecular FormulaC17H20FN3S
Molecular Weight317.43 g/mol
Exact Mass317.14
IUPAC Name4-(4-fluorophenyl)-N-(1-prop-2-enylpiperidin-4-yl)-1,3-thiazol-2-amine
SMILESC=CCN1CCC(Nc2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C17H20FN3S/c1-2-9-21-10-7-15(8-11-21)19-17-20-16(12-22-17)13-3-5-14(18)6-4-13/h2-6,12,15H,1,7-11H2,(H,19,20)
InChIKeyOTQBPOBTTYCGMZ-UHFFFAOYSA-N
XLogP4.01
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(1-prop-2-enylpiperidin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-(1-prop-2-enylpiperidin-4-yl)-1,3-thiazol-2-amine (CID 133372461) is 4-(4-fluorophenyl)-N-(1-prop-2-enylpiperidin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(1-prop-2-enylpiperidin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-(1-prop-2-enylpiperidin-4-yl)-1,3-thiazol-2-amine is C=CCN1CCC(Nc2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(1-prop-2-enylpiperidin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is OTQBPOBTTYCGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3S/c1-2-9-21-10-7-15(8-11-21)19-17-20-16(12-22-17)13-3-5-14(18)6-4-13/h2-6,12,15H,1,7-11H2,(H,19,20).
What are the key properties of 4-(4-fluorophenyl)-N-(1-prop-2-enylpiperidin-4-yl)-1,3-thiazol-2-amine?
4-(4-fluorophenyl)-N-(1-prop-2-enylpiperidin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 317.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(1-prop-2-enylpiperidin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 133372461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).