N-(1,3-benzodioxol-5-yl)-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide

C21H17FN4O4S — CID 71448053

IUPACN-(1,3-benzodioxol-5-yl)-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cnc(N2CCN(Cc3cccc(F)c3)C2=O)s1
InChIInChI=1S/C21H17FN4O4S/c22-14-3-1-2-13(8-14)11-25-6-7-26(21(25)28)20-23-10-18(31-20)19(27)24-15-4-5-16-17(9-15)30-12-29-16/h1-5,8-10H,6-7,11-12H2,(H,24,27)
InChIKeyJTYWAJFDZOJSCI-UHFFFAOYSA-N
MW440.46 g/mol
LogP3.71
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide

N-(1,3-benzodioxol-5-yl)-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 71448053) has the molecular formula C21H17FN4O4S and a molecular weight of 440.46 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID71448053
Molecular FormulaC21H17FN4O4S
Molecular Weight440.46 g/mol
Exact Mass440.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cnc(N2CCN(Cc3cccc(F)c3)C2=O)s1
InChIInChI=1S/C21H17FN4O4S/c22-14-3-1-2-13(8-14)11-25-6-7-26(21(25)28)20-23-10-18(31-20)19(27)24-15-4-5-16-17(9-15)30-12-29-16/h1-5,8-10H,6-7,11-12H2,(H,24,27)
InChIKeyJTYWAJFDZOJSCI-UHFFFAOYSA-N
XLogP3.71
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide (CID 71448053) is N-(1,3-benzodioxol-5-yl)-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cnc(N2CCN(Cc3cccc(F)c3)C2=O)s1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is JTYWAJFDZOJSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O4S/c22-14-3-1-2-13(8-14)11-25-6-7-26(21(25)28)20-23-10-18(31-20)19(27)24-15-4-5-16-17(9-15)30-12-29-16/h1-5,8-10H,6-7,11-12H2,(H,24,27).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 440.46 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71448053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).