[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

C19H26N2OS3 — CID 71801045

IUPAC[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CCC(CSC2=NCCS2)CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C19H26N2OS3/c22-17(19(7-1-2-8-19)16-4-3-12-23-16)21-10-5-15(6-11-21)14-25-18-20-9-13-24-18/h3-4,12,15H,1-2,5-11,13-14H2
InChIKeyLZDUZUFIIQVESY-UHFFFAOYSA-N
MW394.63 g/mol
LogP4.63
Rot. Bonds4

About [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 71801045) has the molecular formula C19H26N2OS3 and a molecular weight of 394.63 g/mol. Its IUPAC name is [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Name[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID71801045
Molecular FormulaC19H26N2OS3
Molecular Weight394.63 g/mol
Exact Mass394.12
IUPAC Name[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CCC(CSC2=NCCS2)CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C19H26N2OS3/c22-17(19(7-1-2-8-19)16-4-3-12-23-16)21-10-5-15(6-11-21)14-25-18-20-9-13-24-18/h3-4,12,15H,1-2,5-11,13-14H2
InChIKeyLZDUZUFIIQVESY-UHFFFAOYSA-N
XLogP4.63
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.63
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Cyclopentylthio)-1-(4-(2-(thiophen-2-yl)cyclopropanecarbonyl)piperazin-1-yl)ethanone
CID 45587635
1-(2-Azaspiro[5.5]undecan-2-yl)-2-(thiophen-2-yl)ethanone
CID 54585849
3-(2-amino-2-oxoethyl)-N-[(1-thiophen-2-ylcyclopentyl)methyl]piperidine-1-carboxamide
CID 75375930
1-(3-Methylpiperidyl)-2-(2-thienyl)ethan-1-one
CID 3133602
N-{[1-(thiophen-2-yl)cyclopentyl]methyl}cyclopentanecarboxamide
CID 25882300
2-(thiophen-2-yl)-N-{[1-(thiophen-2-yl)cyclopentyl]methyl}acetamide
CID 25882302
N-(2-(cyclohex-1-en-1-yl)ethyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 42435425
(4-(5-Methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(1-(thiophen-2-yl)cyclopentyl)methanone
CID 71780429
Cyclohex-3-en-1-yl(4-(thiophen-2-yl)piperidin-1-yl)methanone
CID 71787057
1-(thiophen-2-yl)-N-(2-(4-(thiophen-2-yl)piperidin-1-yl)ethyl)cyclopentanecarboxamide
CID 71787093
1-(4-(((4,5-Dihydrothiazol-2-yl)thio)methyl)piperidin-1-yl)-2-(thiophen-2-yl)ethanone
CID 71801015
1-(4-(Thiophen-2-yl)piperidin-1-yl)-2-(thiophen-3-yl)ethanone
CID 71807057

Frequently Asked Questions

What is the IUPAC name of [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (CID 71801045) is [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is O=C(N1CCC(CSC2=NCCS2)CC1)C1(c2cccs2)CCCC1.
What is the InChIKey of [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is LZDUZUFIIQVESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2OS3/c22-17(19(7-1-2-8-19)16-4-3-12-23-16)21-10-5-15(6-11-21)14-25-18-20-9-13-24-18/h3-4,12,15H,1-2,5-11,13-14H2.
What are the key properties of [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone has a molecular weight of 394.63 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 71801045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).