2-[[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole

C16H18N4OS2 — CID 95629920

IUPAC2-[[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCc1cnc([C@H]2CCCN(Cc3nnc(-c4cccs4)o3)C2)s1
InChIInChI=1S/C16H18N4OS2/c1-11-8-17-16(23-11)12-4-2-6-20(9-12)10-14-18-19-15(21-14)13-5-3-7-22-13/h3,5,7-8,12H,2,4,6,9-10H2,1H3/t12-/m0/s1
InChIKeyGVJRCAHIHBOLGF-LBPRGKRZSA-N
MW346.48 g/mol
LogP3.94
Rot. Bonds4

About 2-[[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole

2-[[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 95629920) has the molecular formula C16H18N4OS2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID95629920
Molecular FormulaC16H18N4OS2
Molecular Weight346.48 g/mol
Exact Mass346.09
IUPAC Name2-[[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCc1cnc([C@H]2CCCN(Cc3nnc(-c4cccs4)o3)C2)s1
InChIInChI=1S/C16H18N4OS2/c1-11-8-17-16(23-11)12-4-2-6-20(9-12)10-14-18-19-15(21-14)13-5-3-7-22-13/h3,5,7-8,12H,2,4,6,9-10H2,1H3/t12-/m0/s1
InChIKeyGVJRCAHIHBOLGF-LBPRGKRZSA-N
XLogP3.94
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole 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 2-[[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 95629920) is 2-[[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole is Cc1cnc([C@H]2CCCN(Cc3nnc(-c4cccs4)o3)C2)s1.
What is the InChIKey of 2-[[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is GVJRCAHIHBOLGF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N4OS2/c1-11-8-17-16(23-11)12-4-2-6-20(9-12)10-14-18-19-15(21-14)13-5-3-7-22-13/h3,5,7-8,12H,2,4,6,9-10H2,1H3/t12-/m0/s1.
What are the key properties of 2-[[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 346.48 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 95629920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).