hydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride

C14H17ClN2S — CID 71677758

IUPAChydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride
SMILES[Cl-].[H+].c1ccc(-c2csc(C3CCNCC3)n2)cc1
InChIInChI=1S/C14H16N2S.ClH/c1-2-4-11(5-3-1)13-10-17-14(16-13)12-6-8-15-9-7-12;/h1-5,10,12,15H,6-9H2;1H
InChIKeyRRVUOKZTPNIIJR-UHFFFAOYSA-N
MW280.82 g/mol
LogP0.39
Rot. Bonds2

About hydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride

hydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride (PubChem CID 71677758) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is hydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride.

Molecular Properties

Compound Namehydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride
PubChem CID71677758
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC Namehydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride
SMILES[Cl-].[H+].c1ccc(-c2csc(C3CCNCC3)n2)cc1
InChIInChI=1S/C14H16N2S.ClH/c1-2-4-11(5-3-1)13-10-17-14(16-13)12-6-8-15-9-7-12;/h1-5,10,12,15H,6-9H2;1H
InChIKeyRRVUOKZTPNIIJR-UHFFFAOYSA-N
XLogP0.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of hydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride?
The IUPAC name of hydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride (CID 71677758) is hydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride.
What is the SMILES notation for hydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride?
The canonical SMILES for hydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride is [Cl-].[H+].c1ccc(-c2csc(C3CCNCC3)n2)cc1.
What is the InChIKey of hydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride?
The InChIKey is RRVUOKZTPNIIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S.ClH/c1-2-4-11(5-3-1)13-10-17-14(16-13)12-6-8-15-9-7-12;/h1-5,10,12,15H,6-9H2;1H.
What are the key properties of hydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride?
hydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride has a molecular weight of 280.82 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride is sourced from PubChem (CID 71677758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).