4-phenyl-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine

C17H25N3S — CID 63183377

IUPAC4-phenyl-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCN1CCC(NC2=NC(c3ccccc3)CS2)CC1
InChIInChI=1S/C17H25N3S/c1-2-10-20-11-8-15(9-12-20)18-17-19-16(13-21-17)14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3,(H,18,19)
InChIKeyGEKFVSXFUAMPKX-UHFFFAOYSA-N
MW303.47 g/mol
LogP3.29
Rot. Bonds4

About 4-phenyl-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine

4-phenyl-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63183377) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is 4-phenyl-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63183377
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC Name4-phenyl-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCN1CCC(NC2=NC(c3ccccc3)CS2)CC1
InChIInChI=1S/C17H25N3S/c1-2-10-20-11-8-15(9-12-20)18-17-19-16(13-21-17)14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3,(H,18,19)
InChIKeyGEKFVSXFUAMPKX-UHFFFAOYSA-N
XLogP3.29
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 63183377) is 4-phenyl-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine is CCCN1CCC(NC2=NC(c3ccccc3)CS2)CC1.
What is the InChIKey of 4-phenyl-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is GEKFVSXFUAMPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-2-10-20-11-8-15(9-12-20)18-17-19-16(13-21-17)14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3,(H,18,19).
What are the key properties of 4-phenyl-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
4-phenyl-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 303.47 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(1-propylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63183377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).