2-[7-(furan-2-yl)-5-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl]-N-phenylacetamide

C21H19N5O3S — CID 39858907

IUPAC2-[7-(furan-2-yl)-5-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl]-N-phenylacetamide
SMILESO=C(Cn1c(=O)nc(-c2ccco2)c2nc(N3CCCC3)sc21)Nc1ccccc1
InChIInChI=1S/C21H19N5O3S/c27-16(22-14-7-2-1-3-8-14)13-26-19-18(24-21(30-19)25-10-4-5-11-25)17(23-20(26)28)15-9-6-12-29-15/h1-3,6-9,12H,4-5,10-11,13H2,(H,22,27)
InChIKeyASYCYUINMKECME-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.35
Rot. Bonds5

About 2-[7-(furan-2-yl)-5-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl]-N-phenylacetamide

2-[7-(furan-2-yl)-5-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl]-N-phenylacetamide (PubChem CID 39858907) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-[7-(furan-2-yl)-5-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[7-(furan-2-yl)-5-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl]-N-phenylacetamide
PubChem CID39858907
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC Name2-[7-(furan-2-yl)-5-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl]-N-phenylacetamide
SMILESO=C(Cn1c(=O)nc(-c2ccco2)c2nc(N3CCCC3)sc21)Nc1ccccc1
InChIInChI=1S/C21H19N5O3S/c27-16(22-14-7-2-1-3-8-14)13-26-19-18(24-21(30-19)25-10-4-5-11-25)17(23-20(26)28)15-9-6-12-29-15/h1-3,6-9,12H,4-5,10-11,13H2,(H,22,27)
InChIKeyASYCYUINMKECME-UHFFFAOYSA-N
XLogP3.35
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-5-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl]acetamide
CID 39858884
N-(3-chloro-4-fluorophenyl)-2-[7-(furan-2-yl)-5-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl]acetamide
CID 39859141
2-(6-ethyl-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-phenylacetamide
CID 46390951
N-(2-ethoxyphenyl)-2-(2-morpholin-4-yl-5-oxo-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide
CID 39859192
N-(3-chloro-2-methylphenyl)-2-[7-(furan-2-yl)-4-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 30836842
2-[7-(furan-2-yl)-4-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 30836720
N-(2-fluorophenyl)-2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 42100001
2-[7-(furan-2-yl)-2-morpholin-4-yl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42100005
N-(furan-2-ylmethyl)-2-(4-oxo-7-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 45498097
4-amino-N-phenyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116667453
4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-morpholin-4-yl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-one
CID 39859306
4-[3-(furan-2-yl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide
CID 15979377

Frequently Asked Questions

What is the IUPAC name of 2-[7-(furan-2-yl)-5-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[7-(furan-2-yl)-5-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl]-N-phenylacetamide (CID 39858907) is 2-[7-(furan-2-yl)-5-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[7-(furan-2-yl)-5-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[7-(furan-2-yl)-5-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl]-N-phenylacetamide is O=C(Cn1c(=O)nc(-c2ccco2)c2nc(N3CCCC3)sc21)Nc1ccccc1.
What is the InChIKey of 2-[7-(furan-2-yl)-5-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl]-N-phenylacetamide?
The InChIKey is ASYCYUINMKECME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c27-16(22-14-7-2-1-3-8-14)13-26-19-18(24-21(30-19)25-10-4-5-11-25)17(23-20(26)28)15-9-6-12-29-15/h1-3,6-9,12H,4-5,10-11,13H2,(H,22,27).
What are the key properties of 2-[7-(furan-2-yl)-5-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl]-N-phenylacetamide?
2-[7-(furan-2-yl)-5-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl]-N-phenylacetamide has a molecular weight of 421.48 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(furan-2-yl)-5-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 39858907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).