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

C19H27N7O2S — CID 86883851

IUPACN-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCCN1CCC(n2nccc2NC(=O)Cc2csc(N3CCCNC3=O)n2)CC1
InChIInChI=1S/C19H27N7O2S/c1-2-24-10-5-15(6-11-24)26-16(4-8-21-26)23-17(27)12-14-13-29-19(22-14)25-9-3-7-20-18(25)28/h4,8,13,15H,2-3,5-7,9-12H2,1H3,(H,20,28)(H,23,27)
InChIKeyWNUGDIALHGXILC-UHFFFAOYSA-N
MW417.54 g/mol
LogP2.10
Rot. Bonds6

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

N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 86883851) has the molecular formula C19H27N7O2S and a molecular weight of 417.54 g/mol. Its IUPAC name is N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID86883851
Molecular FormulaC19H27N7O2S
Molecular Weight417.54 g/mol
Exact Mass417.19
IUPAC NameN-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCCN1CCC(n2nccc2NC(=O)Cc2csc(N3CCCNC3=O)n2)CC1
InChIInChI=1S/C19H27N7O2S/c1-2-24-10-5-15(6-11-24)26-16(4-8-21-26)23-17(27)12-14-13-29-19(22-14)25-9-3-7-20-18(25)28/h4,8,13,15H,2-3,5-7,9-12H2,1H3,(H,20,28)(H,23,27)
InChIKeyWNUGDIALHGXILC-UHFFFAOYSA-N
XLogP2.10
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 52.10
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-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide (CID 86883851) is N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxo-1,3-diazinan-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-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide is CCN1CCC(n2nccc2NC(=O)Cc2csc(N3CCCNC3=O)n2)CC1.
What is the InChIKey of N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is WNUGDIALHGXILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O2S/c1-2-24-10-5-15(6-11-24)26-16(4-8-21-26)23-17(27)12-14-13-29-19(22-14)25-9-3-7-20-18(25)28/h4,8,13,15H,2-3,5-7,9-12H2,1H3,(H,20,28)(H,23,27).
What are the key properties of N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide?
N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 417.54 g/mol, XLogP of 2.10, 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-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 86883851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).