2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-propa-1,2-dienylpiperidin-1-yl)ethanamine

C14H19F2N3S — CID 167114569

IUPAC2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-propa-1,2-dienylpiperidin-1-yl)ethanamine
SMILESC=C=CC1CCN(C(CN)c2scnc2C(F)F)CC1
InChIInChI=1S/C14H19F2N3S/c1-2-3-10-4-6-19(7-5-10)11(8-17)13-12(14(15)16)18-9-20-13/h3,9-11,14H,1,4-8,17H2
InChIKeyFQQXZIIVCSAXFG-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.13
Rot. Bonds5

About 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-propa-1,2-dienylpiperidin-1-yl)ethanamine

2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-propa-1,2-dienylpiperidin-1-yl)ethanamine (PubChem CID 167114569) has the molecular formula C14H19F2N3S and a molecular weight of 299.39 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-propa-1,2-dienylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-propa-1,2-dienylpiperidin-1-yl)ethanamine
PubChem CID167114569
Molecular FormulaC14H19F2N3S
Molecular Weight299.39 g/mol
Exact Mass299.13
IUPAC Name2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-propa-1,2-dienylpiperidin-1-yl)ethanamine
SMILESC=C=CC1CCN(C(CN)c2scnc2C(F)F)CC1
InChIInChI=1S/C14H19F2N3S/c1-2-3-10-4-6-19(7-5-10)11(8-17)13-12(14(15)16)18-9-20-13/h3,9-11,14H,1,4-8,17H2
InChIKeyFQQXZIIVCSAXFG-UHFFFAOYSA-N
XLogP3.13
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-propa-1,2-dienylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-propa-1,2-dienylpiperidin-1-yl)ethanamine (CID 167114569) is 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-propa-1,2-dienylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-propa-1,2-dienylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-propa-1,2-dienylpiperidin-1-yl)ethanamine is C=C=CC1CCN(C(CN)c2scnc2C(F)F)CC1.
What is the InChIKey of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-propa-1,2-dienylpiperidin-1-yl)ethanamine?
The InChIKey is FQQXZIIVCSAXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3S/c1-2-3-10-4-6-19(7-5-10)11(8-17)13-12(14(15)16)18-9-20-13/h3,9-11,14H,1,4-8,17H2.
What are the key properties of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-propa-1,2-dienylpiperidin-1-yl)ethanamine?
2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-propa-1,2-dienylpiperidin-1-yl)ethanamine has a molecular weight of 299.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-(4-propa-1,2-dienylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 167114569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).