1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-4-carboxamide

C14H18N3OS2+ — CID 8557562

IUPAC1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-4-carboxamide
SMILESNC(=O)C1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1
InChIInChI=1S/C14H17N3OS2/c15-13(18)10-1-4-17(5-2-10)7-12-9-20-14(16-12)11-3-6-19-8-11/h3,6,8-10H,1-2,4-5,7H2,(H2,15,18)/p+1
InChIKeyJQJUZOBCYHRXPH-UHFFFAOYSA-O
MW308.45 g/mol
LogP1.15
Rot. Bonds4

About 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-4-carboxamide

1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-4-carboxamide (PubChem CID 8557562) has the molecular formula C14H18N3OS2+ and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-4-carboxamide
PubChem CID8557562
Molecular FormulaC14H18N3OS2+
Molecular Weight308.45 g/mol
Exact Mass308.09
IUPAC Name1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-4-carboxamide
SMILESNC(=O)C1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1
InChIInChI=1S/C14H17N3OS2/c15-13(18)10-1-4-17(5-2-10)7-12-9-20-14(16-12)11-3-6-19-8-11/h3,6,8-10H,1-2,4-5,7H2,(H2,15,18)/p+1
InChIKeyJQJUZOBCYHRXPH-UHFFFAOYSA-O
XLogP1.15
TPSA60.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-4-carboxamide 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-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-4-carboxamide (CID 8557562) is 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-4-carboxamide is NC(=O)C1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1.
What is the InChIKey of 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-4-carboxamide?
The InChIKey is JQJUZOBCYHRXPH-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H17N3OS2/c15-13(18)10-1-4-17(5-2-10)7-12-9-20-14(16-12)11-3-6-19-8-11/h3,6,8-10H,1-2,4-5,7H2,(H2,15,18)/p+1.
What are the key properties of 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-4-carboxamide?
1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-4-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 8557562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).