3-(3-methylthiophen-2-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide

C16H21N3OS2 — CID 90597292

IUPAC3-(3-methylthiophen-2-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
SMILESCc1ccsc1CCC(=O)NC1CCN(c2nccs2)CC1
InChIInChI=1S/C16H21N3OS2/c1-12-6-10-21-14(12)2-3-15(20)18-13-4-8-19(9-5-13)16-17-7-11-22-16/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,18,20)
InChIKeyPLRXDGMMOWYSOV-UHFFFAOYSA-N
MW335.50 g/mol
LogP3.23
Rot. Bonds5

About 3-(3-methylthiophen-2-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide

3-(3-methylthiophen-2-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide (PubChem CID 90597292) has the molecular formula C16H21N3OS2 and a molecular weight of 335.50 g/mol. Its IUPAC name is 3-(3-methylthiophen-2-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(3-methylthiophen-2-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
PubChem CID90597292
Molecular FormulaC16H21N3OS2
Molecular Weight335.50 g/mol
Exact Mass335.11
IUPAC Name3-(3-methylthiophen-2-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
SMILESCc1ccsc1CCC(=O)NC1CCN(c2nccs2)CC1
InChIInChI=1S/C16H21N3OS2/c1-12-6-10-21-14(12)2-3-15(20)18-13-4-8-19(9-5-13)16-17-7-11-22-16/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,18,20)
InChIKeyPLRXDGMMOWYSOV-UHFFFAOYSA-N
XLogP3.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylthiophen-2-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide?
The IUPAC name of 3-(3-methylthiophen-2-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide (CID 90597292) is 3-(3-methylthiophen-2-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(3-methylthiophen-2-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-(3-methylthiophen-2-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide is Cc1ccsc1CCC(=O)NC1CCN(c2nccs2)CC1.
What is the InChIKey of 3-(3-methylthiophen-2-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide?
The InChIKey is PLRXDGMMOWYSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS2/c1-12-6-10-21-14(12)2-3-15(20)18-13-4-8-19(9-5-13)16-17-7-11-22-16/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,18,20).
What are the key properties of 3-(3-methylthiophen-2-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide?
3-(3-methylthiophen-2-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide has a molecular weight of 335.50 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylthiophen-2-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 90597292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).