5-[(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-2-piperidin-1-yl-1,3-thiazol-4-one

C20H21ClN2OS — CID 139248792

IUPAC5-[(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-2-piperidin-1-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCCCC2)SC1C(c1ccc(Cl)cc1)C1C=CC=C1
InChIInChI=1S/C20H21ClN2OS/c21-16-10-8-15(9-11-16)17(14-6-2-3-7-14)18-19(24)22-20(25-18)23-12-4-1-5-13-23/h2-3,6-11,14,17-18H,1,4-5,12-13H2
InChIKeyMFXVKHRMTIYKCI-UHFFFAOYSA-N
MW372.92 g/mol
LogP4.65
Rot. Bonds3

About 5-[(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-2-piperidin-1-yl-1,3-thiazol-4-one

5-[(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-2-piperidin-1-yl-1,3-thiazol-4-one (PubChem CID 139248792) has the molecular formula C20H21ClN2OS and a molecular weight of 372.92 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-2-piperidin-1-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-[(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-2-piperidin-1-yl-1,3-thiazol-4-one
PubChem CID139248792
Molecular FormulaC20H21ClN2OS
Molecular Weight372.92 g/mol
Exact Mass372.11
IUPAC Name5-[(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-2-piperidin-1-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCCCC2)SC1C(c1ccc(Cl)cc1)C1C=CC=C1
InChIInChI=1S/C20H21ClN2OS/c21-16-10-8-15(9-11-16)17(14-6-2-3-7-14)18-19(24)22-20(25-18)23-12-4-1-5-13-23/h2-3,6-11,14,17-18H,1,4-5,12-13H2
InChIKeyMFXVKHRMTIYKCI-UHFFFAOYSA-N
XLogP4.65
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-2-piperidin-1-yl-1,3-thiazol-4-one?
The IUPAC name of 5-[(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-2-piperidin-1-yl-1,3-thiazol-4-one (CID 139248792) is 5-[(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-2-piperidin-1-yl-1,3-thiazol-4-one.
What is the SMILES notation for 5-[(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-2-piperidin-1-yl-1,3-thiazol-4-one?
The canonical SMILES for 5-[(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-2-piperidin-1-yl-1,3-thiazol-4-one is O=C1N=C(N2CCCCC2)SC1C(c1ccc(Cl)cc1)C1C=CC=C1.
What is the InChIKey of 5-[(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-2-piperidin-1-yl-1,3-thiazol-4-one?
The InChIKey is MFXVKHRMTIYKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2OS/c21-16-10-8-15(9-11-16)17(14-6-2-3-7-14)18-19(24)22-20(25-18)23-12-4-1-5-13-23/h2-3,6-11,14,17-18H,1,4-5,12-13H2.
What are the key properties of 5-[(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-2-piperidin-1-yl-1,3-thiazol-4-one?
5-[(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-2-piperidin-1-yl-1,3-thiazol-4-one has a molecular weight of 372.92 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-2-piperidin-1-yl-1,3-thiazol-4-one is sourced from PubChem (CID 139248792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).