N-(1,3-benzodioxol-5-yl)-2-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide

C22H20N4O5S — CID 71447862

IUPACN-(1,3-benzodioxol-5-yl)-2-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CN2CCN(c3ncc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2=O)cc1
InChIInChI=1S/C22H20N4O5S/c1-29-16-5-2-14(3-6-16)12-25-8-9-26(22(25)28)21-23-11-19(32-21)20(27)24-15-4-7-17-18(10-15)31-13-30-17/h2-7,10-11H,8-9,12-13H2,1H3,(H,24,27)
InChIKeyZKOHMJPKGYFHGG-UHFFFAOYSA-N
MW452.49 g/mol
LogP3.57
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-2-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide

N-(1,3-benzodioxol-5-yl)-2-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 71447862) has the molecular formula C22H20N4O5S and a molecular weight of 452.49 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID71447862
Molecular FormulaC22H20N4O5S
Molecular Weight452.49 g/mol
Exact Mass452.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CN2CCN(c3ncc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2=O)cc1
InChIInChI=1S/C22H20N4O5S/c1-29-16-5-2-14(3-6-16)12-25-8-9-26(22(25)28)21-23-11-19(32-21)20(27)24-15-4-7-17-18(10-15)31-13-30-17/h2-7,10-11H,8-9,12-13H2,1H3,(H,24,27)
InChIKeyZKOHMJPKGYFHGG-UHFFFAOYSA-N
XLogP3.57
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide (CID 71447862) is N-(1,3-benzodioxol-5-yl)-2-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide is COc1ccc(CN2CCN(c3ncc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2=O)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZKOHMJPKGYFHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5S/c1-29-16-5-2-14(3-6-16)12-25-8-9-26(22(25)28)21-23-11-19(32-21)20(27)24-15-4-7-17-18(10-15)31-13-30-17/h2-7,10-11H,8-9,12-13H2,1H3,(H,24,27).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71447862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).