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

C14H17N3OS2 — CID 8546821

IUPAC(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(Cc2csc(-c3ccsc3)n2)C1
InChIInChI=1S/C14H17N3OS2/c15-13(18)10-2-1-4-17(6-10)7-12-9-20-14(16-12)11-3-5-19-8-11/h3,5,8-10H,1-2,4,6-7H2,(H2,15,18)/t10-/m0/s1
InChIKeyYNWYEXDHHUXBEG-JTQLQIEISA-N
MW307.44 g/mol
LogP2.57
Rot. Bonds4

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

(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 8546821) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID8546821
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(Cc2csc(-c3ccsc3)n2)C1
InChIInChI=1S/C14H17N3OS2/c15-13(18)10-2-1-4-17(6-10)7-12-9-20-14(16-12)11-3-5-19-8-11/h3,5,8-10H,1-2,4,6-7H2,(H2,15,18)/t10-/m0/s1
InChIKeyYNWYEXDHHUXBEG-JTQLQIEISA-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 (3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide (CID 8546821) is (3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(Cc2csc(-c3ccsc3)n2)C1.
What is the InChIKey of (3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is YNWYEXDHHUXBEG-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N3OS2/c15-13(18)10-2-1-4-17(6-10)7-12-9-20-14(16-12)11-3-5-19-8-11/h3,5,8-10H,1-2,4,6-7H2,(H2,15,18)/t10-/m0/s1.
What are the key properties of (3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?
(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-3-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 (3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 8546821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).