4-phenyl-2-(2-piperidin-2-ylethyl)-1,3-thiazole

C16H20N2S — CID 79817603

IUPAC4-phenyl-2-(2-piperidin-2-ylethyl)-1,3-thiazole
SMILESc1ccc(-c2csc(CCC3CCCCN3)n2)cc1
InChIInChI=1S/C16H20N2S/c1-2-6-13(7-3-1)15-12-19-16(18-15)10-9-14-8-4-5-11-17-14/h1-3,6-7,12,14,17H,4-5,8-11H2
InChIKeyMBUIQXCWYHWMLP-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.88
Rot. Bonds4

About 4-phenyl-2-(2-piperidin-2-ylethyl)-1,3-thiazole

4-phenyl-2-(2-piperidin-2-ylethyl)-1,3-thiazole (PubChem CID 79817603) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 4-phenyl-2-(2-piperidin-2-ylethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-phenyl-2-(2-piperidin-2-ylethyl)-1,3-thiazole
PubChem CID79817603
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name4-phenyl-2-(2-piperidin-2-ylethyl)-1,3-thiazole
SMILESc1ccc(-c2csc(CCC3CCCCN3)n2)cc1
InChIInChI=1S/C16H20N2S/c1-2-6-13(7-3-1)15-12-19-16(18-15)10-9-14-8-4-5-11-17-14/h1-3,6-7,12,14,17H,4-5,8-11H2
InChIKeyMBUIQXCWYHWMLP-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]piperidine
CID 62216718
4-(2-methylpropyl)-2-(2-piperidin-2-ylethyl)-1,3-thiazole
CID 116968484
2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62900718
2-[(2-chlorocycloheptyl)methyl]-4-phenyl-1,3-thiazole
CID 79816966
4-(4-propan-2-yloxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62540561
1-cyclopentyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
CID 115817937
CID 142470178
CID 142470178
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 79016244
4-(piperidin-2-ylmethyl)-2-propyl-1,3-thiazole
CID 116888787
2-(4-phenyl-1,3-thiazol-2-yl)-1-piperidin-3-ylethanol
CID 80559303
1-cyclopentylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 79825749
5-methyl-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole
CID 55049751

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(2-piperidin-2-ylethyl)-1,3-thiazole?
The IUPAC name of 4-phenyl-2-(2-piperidin-2-ylethyl)-1,3-thiazole (CID 79817603) is 4-phenyl-2-(2-piperidin-2-ylethyl)-1,3-thiazole.
What is the SMILES notation for 4-phenyl-2-(2-piperidin-2-ylethyl)-1,3-thiazole?
The canonical SMILES for 4-phenyl-2-(2-piperidin-2-ylethyl)-1,3-thiazole is c1ccc(-c2csc(CCC3CCCCN3)n2)cc1.
What is the InChIKey of 4-phenyl-2-(2-piperidin-2-ylethyl)-1,3-thiazole?
The InChIKey is MBUIQXCWYHWMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-2-6-13(7-3-1)15-12-19-16(18-15)10-9-14-8-4-5-11-17-14/h1-3,6-7,12,14,17H,4-5,8-11H2.
What are the key properties of 4-phenyl-2-(2-piperidin-2-ylethyl)-1,3-thiazole?
4-phenyl-2-(2-piperidin-2-ylethyl)-1,3-thiazole has a molecular weight of 272.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(2-piperidin-2-ylethyl)-1,3-thiazole is sourced from PubChem (CID 79817603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).