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

C21H27N5O2S — CID 59481196

IUPAC2-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCN(CC3CCCCC3)C2=O)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C21H27N5O2S/c1-15-18(19(27)23-13-17-8-5-9-22-12-17)29-20(24-15)26-11-10-25(21(26)28)14-16-6-3-2-4-7-16/h5,8-9,12,16H,2-4,6-7,10-11,13-14H2,1H3,(H,23,27)
InChIKeyFNFMYRSHPYAHHV-UHFFFAOYSA-N
MW413.55 g/mol
LogP3.60
Rot. Bonds6

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

2-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 59481196) has the molecular formula C21H27N5O2S and a molecular weight of 413.55 g/mol. Its IUPAC name is 2-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID59481196
Molecular FormulaC21H27N5O2S
Molecular Weight413.55 g/mol
Exact Mass413.19
IUPAC Name2-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCN(CC3CCCCC3)C2=O)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C21H27N5O2S/c1-15-18(19(27)23-13-17-8-5-9-22-12-17)29-20(24-15)26-11-10-25(21(26)28)14-16-6-3-2-4-7-16/h5,8-9,12,16H,2-4,6-7,10-11,13-14H2,1H3,(H,23,27)
InChIKeyFNFMYRSHPYAHHV-UHFFFAOYSA-N
XLogP3.60
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.55
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 59481196) is 2-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(N2CCN(CC3CCCCC3)C2=O)sc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is FNFMYRSHPYAHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2S/c1-15-18(19(27)23-13-17-8-5-9-22-12-17)29-20(24-15)26-11-10-25(21(26)28)14-16-6-3-2-4-7-16/h5,8-9,12,16H,2-4,6-7,10-11,13-14H2,1H3,(H,23,27).
What are the key properties of 2-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
2-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 413.55 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59481196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).