N-(2-fluorophenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide

C22H15FN4O3S — CID 38966923

IUPACN-(2-fluorophenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(Cn2cnc3c(oc4ccccc43)c2=O)cs1)c1ccccc1F
InChIInChI=1S/C22H15FN4O3S/c1-13(28)27(17-8-4-3-7-16(17)23)22-25-14(11-31-22)10-26-12-24-19-15-6-2-5-9-18(15)30-20(19)21(26)29/h2-9,11-12H,10H2,1H3
InChIKeyYBCDAXPWABVPRI-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.47
Rot. Bonds4

About N-(2-fluorophenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide

N-(2-fluorophenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 38966923) has the molecular formula C22H15FN4O3S and a molecular weight of 434.45 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID38966923
Molecular FormulaC22H15FN4O3S
Molecular Weight434.45 g/mol
Exact Mass434.08
IUPAC NameN-(2-fluorophenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(Cn2cnc3c(oc4ccccc43)c2=O)cs1)c1ccccc1F
InChIInChI=1S/C22H15FN4O3S/c1-13(28)27(17-8-4-3-7-16(17)23)22-25-14(11-31-22)10-26-12-24-19-15-6-2-5-9-18(15)30-20(19)21(26)29/h2-9,11-12H,10H2,1H3
InChIKeyYBCDAXPWABVPRI-UHFFFAOYSA-N
XLogP4.47
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 38966923) is N-(2-fluorophenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1nc(Cn2cnc3c(oc4ccccc43)c2=O)cs1)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is YBCDAXPWABVPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O3S/c1-13(28)27(17-8-4-3-7-16(17)23)22-25-14(11-31-22)10-26-12-24-19-15-6-2-5-9-18(15)30-20(19)21(26)29/h2-9,11-12H,10H2,1H3.
What are the key properties of N-(2-fluorophenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-(2-fluorophenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 434.45 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-[4-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 38966923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).