N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C9H13N3OS — CID 18072276

IUPACN-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CCCNC1
InChIInChI=1S/C9H13N3OS/c13-8(7-2-1-3-10-6-7)12-9-11-4-5-14-9/h4-5,7,10H,1-3,6H2,(H,11,12,13)
InChIKeyPUAIYAJUDSEEDX-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.08
Rot. Bonds2

About N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 18072276) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID18072276
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN-(1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CCCNC1
InChIInChI=1S/C9H13N3OS/c13-8(7-2-1-3-10-6-7)12-9-11-4-5-14-9/h4-5,7,10H,1-3,6H2,(H,11,12,13)
InChIKeyPUAIYAJUDSEEDX-UHFFFAOYSA-N
XLogP1.08
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 18072276) is N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nccs1)C1CCCNC1.
What is the InChIKey of N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is PUAIYAJUDSEEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c13-8(7-2-1-3-10-6-7)12-9-11-4-5-14-9/h4-5,7,10H,1-3,6H2,(H,11,12,13).
What are the key properties of N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?
N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 18072276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).