N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide

C18H25N7O2S — CID 86883866

IUPACN-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCCN1CCC(n2nccc2NC(=O)Cc2csc(N3CCNC3=O)n2)CC1
InChIInChI=1S/C18H25N7O2S/c1-2-23-8-4-14(5-9-23)25-15(3-6-20-25)22-16(26)11-13-12-28-18(21-13)24-10-7-19-17(24)27/h3,6,12,14H,2,4-5,7-11H2,1H3,(H,19,27)(H,22,26)
InChIKeyLXGREWNXVSTALJ-UHFFFAOYSA-N
MW403.51 g/mol
LogP1.71
Rot. Bonds6

About N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide

N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 86883866) has the molecular formula C18H25N7O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID86883866
Molecular FormulaC18H25N7O2S
Molecular Weight403.51 g/mol
Exact Mass403.18
IUPAC NameN-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCCN1CCC(n2nccc2NC(=O)Cc2csc(N3CCNC3=O)n2)CC1
InChIInChI=1S/C18H25N7O2S/c1-2-23-8-4-14(5-9-23)25-15(3-6-20-25)22-16(26)11-13-12-28-18(21-13)24-10-7-19-17(24)27/h3,6,12,14H,2,4-5,7-11H2,1H3,(H,19,27)(H,22,26)
InChIKeyLXGREWNXVSTALJ-UHFFFAOYSA-N
XLogP1.71
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide (CID 86883866) is N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide is CCN1CCC(n2nccc2NC(=O)Cc2csc(N3CCNC3=O)n2)CC1.
What is the InChIKey of N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is LXGREWNXVSTALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O2S/c1-2-23-8-4-14(5-9-23)25-15(3-6-20-25)22-16(26)11-13-12-28-18(21-13)24-10-7-19-17(24)27/h3,6,12,14H,2,4-5,7-11H2,1H3,(H,19,27)(H,22,26).
What are the key properties of N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 403.51 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 86883866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).