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

C14H17N3OS2 — CID 8557563

IUPAC1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(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)
InChIKeyJQJUZOBCYHRXPH-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.57
Rot. Bonds4

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

1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 8557563) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID8557563
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(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)
InChIKeyJQJUZOBCYHRXPH-UHFFFAOYSA-N
XLogP2.57
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (CID 8557563) is 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2csc(-c3ccsc3)n2)CC1.
What is the InChIKey of 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is JQJUZOBCYHRXPH-UHFFFAOYSA-N. 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).
What are the key properties of 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 8557563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).