4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]benzamide

C23H25N5O3S — CID 144947959

IUPAC4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]benzamide
SMILESCC(C)c1nnc(-c2ccc(Oc3cc(C(N)=O)ccc3CN3C[C@@H](C)NC3=O)cc2)s1
InChIInChI=1S/C23H25N5O3S/c1-13(2)21-26-27-22(32-21)15-6-8-18(9-7-15)31-19-10-16(20(24)29)4-5-17(19)12-28-11-14(3)25-23(28)30/h4-10,13-14H,11-12H2,1-3H3,(H2,24,29)(H,25,30)/t14-/m1/s1
InChIKeyGXENOEZFTFPIGA-CQSZACIVSA-N
MW451.55 g/mol
LogP4.13
Rot. Bonds7

About 4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]benzamide

4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]benzamide (PubChem CID 144947959) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is 4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]benzamide.

Molecular Properties

Compound Name4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]benzamide
PubChem CID144947959
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC Name4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]benzamide
SMILESCC(C)c1nnc(-c2ccc(Oc3cc(C(N)=O)ccc3CN3C[C@@H](C)NC3=O)cc2)s1
InChIInChI=1S/C23H25N5O3S/c1-13(2)21-26-27-22(32-21)15-6-8-18(9-7-15)31-19-10-16(20(24)29)4-5-17(19)12-28-11-14(3)25-23(28)30/h4-10,13-14H,11-12H2,1-3H3,(H2,24,29)(H,25,30)/t14-/m1/s1
InChIKeyGXENOEZFTFPIGA-CQSZACIVSA-N
XLogP4.13
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]benzamide?
The IUPAC name of 4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]benzamide (CID 144947959) is 4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]benzamide.
What is the SMILES notation for 4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]benzamide?
The canonical SMILES for 4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]benzamide is CC(C)c1nnc(-c2ccc(Oc3cc(C(N)=O)ccc3CN3C[C@@H](C)NC3=O)cc2)s1.
What is the InChIKey of 4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]benzamide?
The InChIKey is GXENOEZFTFPIGA-CQSZACIVSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-13(2)21-26-27-22(32-21)15-6-8-18(9-7-15)31-19-10-16(20(24)29)4-5-17(19)12-28-11-14(3)25-23(28)30/h4-10,13-14H,11-12H2,1-3H3,(H2,24,29)(H,25,30)/t14-/m1/s1.
What are the key properties of 4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]benzamide?
4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]benzamide has a molecular weight of 451.55 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4R)-4-methyl-2-oxoimidazolidin-1-yl]methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]benzamide is sourced from PubChem (CID 144947959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).