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

C18H23N5O2S — CID 59481312

IUPAC2-(3-butyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCCCCN1CCN(c2nc(C)c(C(=O)NCc3cccnc3)s2)C1=O
InChIInChI=1S/C18H23N5O2S/c1-3-4-8-22-9-10-23(18(22)25)17-21-13(2)15(26-17)16(24)20-12-14-6-5-7-19-11-14/h5-7,11H,3-4,8-10,12H2,1-2H3,(H,20,24)
InChIKeyWXYKOSAXCPQDGN-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.82
Rot. Bonds7

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

2-(3-butyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 59481312) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-(3-butyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-butyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID59481312
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name2-(3-butyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCCCCN1CCN(c2nc(C)c(C(=O)NCc3cccnc3)s2)C1=O
InChIInChI=1S/C18H23N5O2S/c1-3-4-8-22-9-10-23(18(22)25)17-21-13(2)15(26-17)16(24)20-12-14-6-5-7-19-11-14/h5-7,11H,3-4,8-10,12H2,1-2H3,(H,20,24)
InChIKeyWXYKOSAXCPQDGN-UHFFFAOYSA-N
XLogP2.82
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-butyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 59481312) is 2-(3-butyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-butyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-butyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is CCCCN1CCN(c2nc(C)c(C(=O)NCc3cccnc3)s2)C1=O.
What is the InChIKey of 2-(3-butyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is WXYKOSAXCPQDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-3-4-8-22-9-10-23(18(22)25)17-21-13(2)15(26-17)16(24)20-12-14-6-5-7-19-11-14/h5-7,11H,3-4,8-10,12H2,1-2H3,(H,20,24).
What are the key properties of 2-(3-butyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
2-(3-butyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59481312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).