4-[1-(4-chlorophenyl)cyclobutyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole

C19H23ClN2S — CID 20628054

IUPAC4-[1-(4-chlorophenyl)cyclobutyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole
SMILESCN1CCC(c2nc(C3(c4ccc(Cl)cc4)CCC3)cs2)CC1
InChIInChI=1S/C19H23ClN2S/c1-22-11-7-14(8-12-22)18-21-17(13-23-18)19(9-2-10-19)15-3-5-16(20)6-4-15/h3-6,13-14H,2,7-12H2,1H3
InChIKeyCZTAITNENXAFCT-UHFFFAOYSA-N
MW346.93 g/mol
LogP5.08
Rot. Bonds3

About 4-[1-(4-chlorophenyl)cyclobutyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole

4-[1-(4-chlorophenyl)cyclobutyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole (PubChem CID 20628054) has the molecular formula C19H23ClN2S and a molecular weight of 346.93 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)cyclobutyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)cyclobutyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole
PubChem CID20628054
Molecular FormulaC19H23ClN2S
Molecular Weight346.93 g/mol
Exact Mass346.13
IUPAC Name4-[1-(4-chlorophenyl)cyclobutyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole
SMILESCN1CCC(c2nc(C3(c4ccc(Cl)cc4)CCC3)cs2)CC1
InChIInChI=1S/C19H23ClN2S/c1-22-11-7-14(8-12-22)18-21-17(13-23-18)19(9-2-10-19)15-3-5-16(20)6-4-15/h3-6,13-14H,2,7-12H2,1H3
InChIKeyCZTAITNENXAFCT-UHFFFAOYSA-N
XLogP5.08
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.93
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)cyclobutyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole?
The IUPAC name of 4-[1-(4-chlorophenyl)cyclobutyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole (CID 20628054) is 4-[1-(4-chlorophenyl)cyclobutyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-[1-(4-chlorophenyl)cyclobutyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole?
The canonical SMILES for 4-[1-(4-chlorophenyl)cyclobutyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole is CN1CCC(c2nc(C3(c4ccc(Cl)cc4)CCC3)cs2)CC1.
What is the InChIKey of 4-[1-(4-chlorophenyl)cyclobutyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole?
The InChIKey is CZTAITNENXAFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2S/c1-22-11-7-14(8-12-22)18-21-17(13-23-18)19(9-2-10-19)15-3-5-16(20)6-4-15/h3-6,13-14H,2,7-12H2,1H3.
What are the key properties of 4-[1-(4-chlorophenyl)cyclobutyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole?
4-[1-(4-chlorophenyl)cyclobutyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole has a molecular weight of 346.93 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)cyclobutyl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole is sourced from PubChem (CID 20628054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).