4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxamide

C13H22N4OS — CID 112700484

IUPAC4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxamide
SMILESCCc1cnc(C(C)NC2CCN(C(N)=O)CC2)s1
InChIInChI=1S/C13H22N4OS/c1-3-11-8-15-12(19-11)9(2)16-10-4-6-17(7-5-10)13(14)18/h8-10,16H,3-7H2,1-2H3,(H2,14,18)
InChIKeyYXRYTGVWDSMFSD-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.90
Rot. Bonds4

About 4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxamide

4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxamide (PubChem CID 112700484) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxamide
PubChem CID112700484
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxamide
SMILESCCc1cnc(C(C)NC2CCN(C(N)=O)CC2)s1
InChIInChI=1S/C13H22N4OS/c1-3-11-8-15-12(19-11)9(2)16-10-4-6-17(7-5-10)13(14)18/h8-10,16H,3-7H2,1-2H3,(H2,14,18)
InChIKeyYXRYTGVWDSMFSD-UHFFFAOYSA-N
XLogP1.90
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxamide?
The IUPAC name of 4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxamide (CID 112700484) is 4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxamide?
The canonical SMILES for 4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxamide is CCc1cnc(C(C)NC2CCN(C(N)=O)CC2)s1.
What is the InChIKey of 4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxamide?
The InChIKey is YXRYTGVWDSMFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-3-11-8-15-12(19-11)9(2)16-10-4-6-17(7-5-10)13(14)18/h8-10,16H,3-7H2,1-2H3,(H2,14,18).
What are the key properties of 4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxamide?
4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxamide is sourced from PubChem (CID 112700484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).