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

C23H23N5O5S — CID 39858884

IUPACN-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-5-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2c(=O)nc(-c3ccco3)c3nc(N4CCCC4)sc32)cc1OC
InChIInChI=1S/C23H23N5O5S/c1-31-15-8-7-14(12-17(15)32-2)24-18(29)13-28-21-20(26-23(34-21)27-9-3-4-10-27)19(25-22(28)30)16-6-5-11-33-16/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,24,29)
InChIKeyQCBYXNOACABXHA-UHFFFAOYSA-N
MW481.53 g/mol
LogP3.37
Rot. Bonds7

About 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

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 (PubChem CID 39858884) has the molecular formula C23H23N5O5S and a molecular weight of 481.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-5-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl]acetamide
PubChem CID39858884
Molecular FormulaC23H23N5O5S
Molecular Weight481.53 g/mol
Exact Mass481.14
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[7-(furan-2-yl)-5-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2c(=O)nc(-c3ccco3)c3nc(N4CCCC4)sc32)cc1OC
InChIInChI=1S/C23H23N5O5S/c1-31-15-8-7-14(12-17(15)32-2)24-18(29)13-28-21-20(26-23(34-21)27-9-3-4-10-27)19(25-22(28)30)16-6-5-11-33-16/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,24,29)
InChIKeyQCBYXNOACABXHA-UHFFFAOYSA-N
XLogP3.37
TPSA111.72 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[7-(furan-2-yl)-5-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl]-N-phenylacetamide
CID 39858907
5-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-7-(furan-2-yl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 42100022
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-(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
N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)acetamide
CID 110690712
2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 50833718
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 109033634
N-(3,4-dimethoxyphenyl)-2-[[2-oxo-1-(thiophen-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
CID 41089926
N-(3,4-dimethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 26364730
N-(4-methoxy-3-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 87032394
N-(3,4-dimethoxyphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin-2-yl]acetamide
CID 91810120

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(NC(=O)Cn2c(=O)nc(-c3ccco3)c3nc(N4CCCC4)sc32)cc1OC.
What is the InChIKey of 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?
The InChIKey is QCBYXNOACABXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O5S/c1-31-15-8-7-14(12-17(15)32-2)24-18(29)13-28-21-20(26-23(34-21)27-9-3-4-10-27)19(25-22(28)30)16-6-5-11-33-16/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,24,29).
What are the key properties of 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?
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 has a molecular weight of 481.53 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 39858884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).