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

C21H17ClFN5O3S — CID 39859141

IUPACN-(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
SMILESO=C(Cn1c(=O)nc(-c2ccco2)c2nc(N3CCCC3)sc21)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C21H17ClFN5O3S/c22-13-10-12(5-6-14(13)23)24-16(29)11-28-19-18(26-21(32-19)27-7-1-2-8-27)17(25-20(28)30)15-4-3-9-31-15/h3-6,9-10H,1-2,7-8,11H2,(H,24,29)
InChIKeyHAFSMJHFMWOOFL-UHFFFAOYSA-N
MW473.92 g/mol
LogP4.14
Rot. Bonds5

About 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

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 (PubChem CID 39859141) has the molecular formula C21H17ClFN5O3S and a molecular weight of 473.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID39859141
Molecular FormulaC21H17ClFN5O3S
Molecular Weight473.92 g/mol
Exact Mass473.07
IUPAC NameN-(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
SMILESO=C(Cn1c(=O)nc(-c2ccco2)c2nc(N3CCCC3)sc21)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C21H17ClFN5O3S/c22-13-10-12(5-6-14(13)23)24-16(29)11-28-19-18(26-21(32-19)27-7-1-2-8-27)17(25-20(28)30)15-4-3-9-31-15/h3-6,9-10H,1-2,7-8,11H2,(H,24,29)
InChIKeyHAFSMJHFMWOOFL-UHFFFAOYSA-N
XLogP4.14
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.92
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Cn1c(=O)nc(-c2ccco2)c2nc(N3CCCC3)sc21)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 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?
The InChIKey is HAFSMJHFMWOOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN5O3S/c22-13-10-12(5-6-14(13)23)24-16(29)11-28-19-18(26-21(32-19)27-7-1-2-8-27)17(25-20(28)30)15-4-3-9-31-15/h3-6,9-10H,1-2,7-8,11H2,(H,24,29).
What are the key properties of 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?
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 has a molecular weight of 473.92 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 39859141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).