2-chloro-5-[1-(4-piperidin-1-ylphenyl)ethenyl]-1,3-thiazole

C16H17ClN2S — CID 121342736

IUPAC2-chloro-5-[1-(4-piperidin-1-ylphenyl)ethenyl]-1,3-thiazole
SMILESC=C(c1ccc(N2CCCCC2)cc1)c1cnc(Cl)s1
InChIInChI=1S/C16H17ClN2S/c1-12(15-11-18-16(17)20-15)13-5-7-14(8-6-13)19-9-3-2-4-10-19/h5-8,11H,1-4,9-10H2
InChIKeyLFGHJXDSWYHMDJ-UHFFFAOYSA-N
MW304.85 g/mol
LogP4.85
Rot. Bonds3

About 2-chloro-5-[1-(4-piperidin-1-ylphenyl)ethenyl]-1,3-thiazole

2-chloro-5-[1-(4-piperidin-1-ylphenyl)ethenyl]-1,3-thiazole (PubChem CID 121342736) has the molecular formula C16H17ClN2S and a molecular weight of 304.85 g/mol. Its IUPAC name is 2-chloro-5-[1-(4-piperidin-1-ylphenyl)ethenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[1-(4-piperidin-1-ylphenyl)ethenyl]-1,3-thiazole
PubChem CID121342736
Molecular FormulaC16H17ClN2S
Molecular Weight304.85 g/mol
Exact Mass304.08
IUPAC Name2-chloro-5-[1-(4-piperidin-1-ylphenyl)ethenyl]-1,3-thiazole
SMILESC=C(c1ccc(N2CCCCC2)cc1)c1cnc(Cl)s1
InChIInChI=1S/C16H17ClN2S/c1-12(15-11-18-16(17)20-15)13-5-7-14(8-6-13)19-9-3-2-4-10-19/h5-8,11H,1-4,9-10H2
InChIKeyLFGHJXDSWYHMDJ-UHFFFAOYSA-N
XLogP4.85
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.85
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-(4-piperidin-1-ylphenyl)ethenyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[1-(4-piperidin-1-ylphenyl)ethenyl]-1,3-thiazole (CID 121342736) is 2-chloro-5-[1-(4-piperidin-1-ylphenyl)ethenyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[1-(4-piperidin-1-ylphenyl)ethenyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[1-(4-piperidin-1-ylphenyl)ethenyl]-1,3-thiazole is C=C(c1ccc(N2CCCCC2)cc1)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-5-[1-(4-piperidin-1-ylphenyl)ethenyl]-1,3-thiazole?
The InChIKey is LFGHJXDSWYHMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2S/c1-12(15-11-18-16(17)20-15)13-5-7-14(8-6-13)19-9-3-2-4-10-19/h5-8,11H,1-4,9-10H2.
What are the key properties of 2-chloro-5-[1-(4-piperidin-1-ylphenyl)ethenyl]-1,3-thiazole?
2-chloro-5-[1-(4-piperidin-1-ylphenyl)ethenyl]-1,3-thiazole has a molecular weight of 304.85 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-(4-piperidin-1-ylphenyl)ethenyl]-1,3-thiazole is sourced from PubChem (CID 121342736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).