4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

C23H25N5O2S — CID 59481307

IUPAC4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCN(CCCc3ccccc3)C2=O)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C23H25N5O2S/c1-17-20(21(29)25-16-19-9-5-11-24-15-19)31-22(26-17)28-14-13-27(23(28)30)12-6-10-18-7-3-2-4-8-18/h2-5,7-9,11,15H,6,10,12-14,16H2,1H3,(H,25,29)
InChIKeyJCRSYWXQXKKIAW-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.65
Rot. Bonds8

About 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 59481307) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID59481307
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC Name4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCN(CCCc3ccccc3)C2=O)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C23H25N5O2S/c1-17-20(21(29)25-16-19-9-5-11-24-15-19)31-22(26-17)28-14-13-27(23(28)30)12-6-10-18-7-3-2-4-8-18/h2-5,7-9,11,15H,6,10,12-14,16H2,1H3,(H,25,29)
InChIKeyJCRSYWXQXKKIAW-UHFFFAOYSA-N
XLogP3.65
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 59481307) is 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(N2CCN(CCCc3ccccc3)C2=O)sc1C(=O)NCc1cccnc1.
What is the InChIKey of 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is JCRSYWXQXKKIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-17-20(21(29)25-16-19-9-5-11-24-15-19)31-22(26-17)28-14-13-27(23(28)30)12-6-10-18-7-3-2-4-8-18/h2-5,7-9,11,15H,6,10,12-14,16H2,1H3,(H,25,29).
What are the key properties of 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59481307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).