2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide

C21H21N5O2S — CID 59481229

IUPAC2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCN(Cc3ccccc3)C2=O)sc1C(=O)NCc1ccncc1
InChIInChI=1S/C21H21N5O2S/c1-15-18(19(27)23-13-16-7-9-22-10-8-16)29-20(24-15)26-12-11-25(21(26)28)14-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,23,27)
InChIKeyVNZOYLVCXSIPLE-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.22
Rot. Bonds6

About 2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide

2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 59481229) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is 2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID59481229
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC Name2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCN(Cc3ccccc3)C2=O)sc1C(=O)NCc1ccncc1
InChIInChI=1S/C21H21N5O2S/c1-15-18(19(27)23-13-16-7-9-22-10-8-16)29-20(24-15)26-12-11-25(21(26)28)14-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,23,27)
InChIKeyVNZOYLVCXSIPLE-UHFFFAOYSA-N
XLogP3.22
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

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1-[4-(3-Methylbutyl)-5-Oxo-6-(Pyridin-3-Yl)-4,5-Dihydro[1,3]thiazolo[5,4-B]pyridin-2-Yl]-3-Prop-2-En-1-Ylurea
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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide (CID 59481229) is 2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(N2CCN(Cc3ccccc3)C2=O)sc1C(=O)NCc1ccncc1.
What is the InChIKey of 2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is VNZOYLVCXSIPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-15-18(19(27)23-13-16-7-9-22-10-8-16)29-20(24-15)26-12-11-25(21(26)28)14-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,23,27).
What are the key properties of 2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59481229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).