N-[1-cyclopentyl-2-oxo-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]ethyl]acetamide

C20H27N5O3S — CID 78838414

IUPACN-[1-cyclopentyl-2-oxo-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NC(C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)C1CCCC1
InChIInChI=1S/C20H27N5O3S/c1-14(26)21-18(15-4-2-3-5-15)19(28)24-8-6-23(7-9-24)13-16-12-17(27)25-10-11-29-20(25)22-16/h10-12,15,18H,2-9,13H2,1H3,(H,21,26)
InChIKeyQQASOAGOOLFEFE-UHFFFAOYSA-N
MW417.54 g/mol
LogP1.10
Rot. Bonds5

About N-[1-cyclopentyl-2-oxo-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]ethyl]acetamide

N-[1-cyclopentyl-2-oxo-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]ethyl]acetamide (PubChem CID 78838414) has the molecular formula C20H27N5O3S and a molecular weight of 417.54 g/mol. Its IUPAC name is N-[1-cyclopentyl-2-oxo-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-cyclopentyl-2-oxo-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]ethyl]acetamide
PubChem CID78838414
Molecular FormulaC20H27N5O3S
Molecular Weight417.54 g/mol
Exact Mass417.18
IUPAC NameN-[1-cyclopentyl-2-oxo-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NC(C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)C1CCCC1
InChIInChI=1S/C20H27N5O3S/c1-14(26)21-18(15-4-2-3-5-15)19(28)24-8-6-23(7-9-24)13-16-12-17(27)25-10-11-29-20(25)22-16/h10-12,15,18H,2-9,13H2,1H3,(H,21,26)
InChIKeyQQASOAGOOLFEFE-UHFFFAOYSA-N
XLogP1.10
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopentyl-2-oxo-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[1-cyclopentyl-2-oxo-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]ethyl]acetamide (CID 78838414) is N-[1-cyclopentyl-2-oxo-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-cyclopentyl-2-oxo-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[1-cyclopentyl-2-oxo-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]ethyl]acetamide is CC(=O)NC(C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)C1CCCC1.
What is the InChIKey of N-[1-cyclopentyl-2-oxo-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]ethyl]acetamide?
The InChIKey is QQASOAGOOLFEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3S/c1-14(26)21-18(15-4-2-3-5-15)19(28)24-8-6-23(7-9-24)13-16-12-17(27)25-10-11-29-20(25)22-16/h10-12,15,18H,2-9,13H2,1H3,(H,21,26).
What are the key properties of N-[1-cyclopentyl-2-oxo-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]ethyl]acetamide?
N-[1-cyclopentyl-2-oxo-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]ethyl]acetamide has a molecular weight of 417.54 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopentyl-2-oxo-2-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 78838414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).