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

C15H20N2OS3 — CID 71801015

IUPAC1-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(CSC2=NCCS2)CC1
InChIInChI=1S/C15H20N2OS3/c18-14(10-13-2-1-8-19-13)17-6-3-12(4-7-17)11-21-15-16-5-9-20-15/h1-2,8,12H,3-7,9-11H2
InChIKeyANHPQPRIXQIYHE-UHFFFAOYSA-N
MW340.54 g/mol
LogP3.37
Rot. Bonds4

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

1-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 71801015) has the molecular formula C15H20N2OS3 and a molecular weight of 340.54 g/mol. Its IUPAC name is 1-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID71801015
Molecular FormulaC15H20N2OS3
Molecular Weight340.54 g/mol
Exact Mass340.07
IUPAC Name1-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(CSC2=NCCS2)CC1
InChIInChI=1S/C15H20N2OS3/c18-14(10-13-2-1-8-19-13)17-6-3-12(4-7-17)11-21-15-16-5-9-20-15/h1-2,8,12H,3-7,9-11H2
InChIKeyANHPQPRIXQIYHE-UHFFFAOYSA-N
XLogP3.37
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-2-thiophen-2-ylethanone (CID 71801015) is 1-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCC(CSC2=NCCS2)CC1.
What is the InChIKey of 1-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is ANHPQPRIXQIYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS3/c18-14(10-13-2-1-8-19-13)17-6-3-12(4-7-17)11-21-15-16-5-9-20-15/h1-2,8,12H,3-7,9-11H2.
What are the key properties of 1-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 340.54 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 71801015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).