4-phenyl-2-piperidin-1-yl-1,3-thiazole

C14H16N2S — CID 879105

IUPAC4-phenyl-2-piperidin-1-yl-1,3-thiazole
SMILESc1ccc(-c2csc(N3CCCCC3)n2)cc1
InChIInChI=1S/C14H16N2S/c1-3-7-12(8-4-1)13-11-17-14(15-13)16-9-5-2-6-10-16/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIKeyQWDSVKYWKIRRBD-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.80
Rot. Bonds2

About 4-phenyl-2-piperidin-1-yl-1,3-thiazole

4-phenyl-2-piperidin-1-yl-1,3-thiazole (PubChem CID 879105) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-phenyl-2-piperidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-phenyl-2-piperidin-1-yl-1,3-thiazole
PubChem CID879105
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name4-phenyl-2-piperidin-1-yl-1,3-thiazole
SMILESc1ccc(-c2csc(N3CCCCC3)n2)cc1
InChIInChI=1S/C14H16N2S/c1-3-7-12(8-4-1)13-11-17-14(15-13)16-9-5-2-6-10-16/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIKeyQWDSVKYWKIRRBD-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-piperidin-1-yl-1,3-thiazole?
The IUPAC name of 4-phenyl-2-piperidin-1-yl-1,3-thiazole (CID 879105) is 4-phenyl-2-piperidin-1-yl-1,3-thiazole.
What is the SMILES notation for 4-phenyl-2-piperidin-1-yl-1,3-thiazole?
The canonical SMILES for 4-phenyl-2-piperidin-1-yl-1,3-thiazole is c1ccc(-c2csc(N3CCCCC3)n2)cc1.
What is the InChIKey of 4-phenyl-2-piperidin-1-yl-1,3-thiazole?
The InChIKey is QWDSVKYWKIRRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-3-7-12(8-4-1)13-11-17-14(15-13)16-9-5-2-6-10-16/h1,3-4,7-8,11H,2,5-6,9-10H2.
What are the key properties of 4-phenyl-2-piperidin-1-yl-1,3-thiazole?
4-phenyl-2-piperidin-1-yl-1,3-thiazole has a molecular weight of 244.36 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-piperidin-1-yl-1,3-thiazole is sourced from PubChem (CID 879105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).