4-(4-phenylpiperidin-1-yl)-1,3-thiazole

C14H16N2S — CID 175743115

IUPAC4-(4-phenylpiperidin-1-yl)-1,3-thiazole
SMILESc1ccc(C2CCN(c3cscn3)CC2)cc1
InChIInChI=1S/C14H16N2S/c1-2-4-12(5-3-1)13-6-8-16(9-7-13)14-10-17-11-15-14/h1-5,10-11,13H,6-9H2
InChIKeyVPYWPGBVOMEMBL-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.53
Rot. Bonds2

About 4-(4-phenylpiperidin-1-yl)-1,3-thiazole

4-(4-phenylpiperidin-1-yl)-1,3-thiazole (PubChem CID 175743115) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-(4-phenylpiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-phenylpiperidin-1-yl)-1,3-thiazole
PubChem CID175743115
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name4-(4-phenylpiperidin-1-yl)-1,3-thiazole
SMILESc1ccc(C2CCN(c3cscn3)CC2)cc1
InChIInChI=1S/C14H16N2S/c1-2-4-12(5-3-1)13-6-8-16(9-7-13)14-10-17-11-15-14/h1-5,10-11,13H,6-9H2
InChIKeyVPYWPGBVOMEMBL-UHFFFAOYSA-N
XLogP3.53
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 4-(4-phenylpiperidin-1-yl)-1,3-thiazole (CID 175743115) is 4-(4-phenylpiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-phenylpiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-phenylpiperidin-1-yl)-1,3-thiazole is c1ccc(C2CCN(c3cscn3)CC2)cc1.
What is the InChIKey of 4-(4-phenylpiperidin-1-yl)-1,3-thiazole?
The InChIKey is VPYWPGBVOMEMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-2-4-12(5-3-1)13-6-8-16(9-7-13)14-10-17-11-15-14/h1-5,10-11,13H,6-9H2.
What are the key properties of 4-(4-phenylpiperidin-1-yl)-1,3-thiazole?
4-(4-phenylpiperidin-1-yl)-1,3-thiazole has a molecular weight of 244.36 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 175743115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).