5-(3-benzyl-2-pyridin-3-ylimidazolidin-4-yl)-4-methyl-2-phenyl-2,3-dihydro-1,3-thiazole

C25H26N4S — CID 118964140

IUPAC5-(3-benzyl-2-pyridin-3-ylimidazolidin-4-yl)-4-methyl-2-phenyl-2,3-dihydro-1,3-thiazole
SMILESCC1=C(C2CNC(c3cccnc3)N2Cc2ccccc2)SC(c2ccccc2)N1
InChIInChI=1S/C25H26N4S/c1-18-23(30-25(28-18)20-11-6-3-7-12-20)22-16-27-24(21-13-8-14-26-15-21)29(22)17-19-9-4-2-5-10-19/h2-15,22,24-25,27-28H,16-17H2,1H3
InChIKeyHIISBADPECKHAX-UHFFFAOYSA-N
MW414.58 g/mol
LogP4.82
Rot. Bonds5

About 5-(3-benzyl-2-pyridin-3-ylimidazolidin-4-yl)-4-methyl-2-phenyl-2,3-dihydro-1,3-thiazole

5-(3-benzyl-2-pyridin-3-ylimidazolidin-4-yl)-4-methyl-2-phenyl-2,3-dihydro-1,3-thiazole (PubChem CID 118964140) has the molecular formula C25H26N4S and a molecular weight of 414.58 g/mol. Its IUPAC name is 5-(3-benzyl-2-pyridin-3-ylimidazolidin-4-yl)-4-methyl-2-phenyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name5-(3-benzyl-2-pyridin-3-ylimidazolidin-4-yl)-4-methyl-2-phenyl-2,3-dihydro-1,3-thiazole
PubChem CID118964140
Molecular FormulaC25H26N4S
Molecular Weight414.58 g/mol
Exact Mass414.19
IUPAC Name5-(3-benzyl-2-pyridin-3-ylimidazolidin-4-yl)-4-methyl-2-phenyl-2,3-dihydro-1,3-thiazole
SMILESCC1=C(C2CNC(c3cccnc3)N2Cc2ccccc2)SC(c2ccccc2)N1
InChIInChI=1S/C25H26N4S/c1-18-23(30-25(28-18)20-11-6-3-7-12-20)22-16-27-24(21-13-8-14-26-15-21)29(22)17-19-9-4-2-5-10-19/h2-15,22,24-25,27-28H,16-17H2,1H3
InChIKeyHIISBADPECKHAX-UHFFFAOYSA-N
XLogP4.82
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-benzyl-2-pyridin-3-ylimidazolidin-4-yl)-4-methyl-2-phenyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 5-(3-benzyl-2-pyridin-3-ylimidazolidin-4-yl)-4-methyl-2-phenyl-2,3-dihydro-1,3-thiazole (CID 118964140) is 5-(3-benzyl-2-pyridin-3-ylimidazolidin-4-yl)-4-methyl-2-phenyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 5-(3-benzyl-2-pyridin-3-ylimidazolidin-4-yl)-4-methyl-2-phenyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 5-(3-benzyl-2-pyridin-3-ylimidazolidin-4-yl)-4-methyl-2-phenyl-2,3-dihydro-1,3-thiazole is CC1=C(C2CNC(c3cccnc3)N2Cc2ccccc2)SC(c2ccccc2)N1.
What is the InChIKey of 5-(3-benzyl-2-pyridin-3-ylimidazolidin-4-yl)-4-methyl-2-phenyl-2,3-dihydro-1,3-thiazole?
The InChIKey is HIISBADPECKHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4S/c1-18-23(30-25(28-18)20-11-6-3-7-12-20)22-16-27-24(21-13-8-14-26-15-21)29(22)17-19-9-4-2-5-10-19/h2-15,22,24-25,27-28H,16-17H2,1H3.
What are the key properties of 5-(3-benzyl-2-pyridin-3-ylimidazolidin-4-yl)-4-methyl-2-phenyl-2,3-dihydro-1,3-thiazole?
5-(3-benzyl-2-pyridin-3-ylimidazolidin-4-yl)-4-methyl-2-phenyl-2,3-dihydro-1,3-thiazole has a molecular weight of 414.58 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-benzyl-2-pyridin-3-ylimidazolidin-4-yl)-4-methyl-2-phenyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 118964140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).