N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzamide

C24H24N4O6S — CID 88532151

IUPACN-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzamide
SMILESCOCC(C)Oc1cc(Oc2ccc(-c3nnc(C)o3)cc2)cc(C(=O)Nc2ncc(CO)s2)c1
InChIInChI=1S/C24H24N4O6S/c1-14(13-31-3)32-19-8-17(22(30)26-24-25-11-21(12-29)35-24)9-20(10-19)34-18-6-4-16(5-7-18)23-28-27-15(2)33-23/h4-11,14,29H,12-13H2,1-3H3,(H,25,26,30)
InChIKeyCYUYHEVVVDQECK-UHFFFAOYSA-N
MW496.55 g/mol
LogP4.45
Rot. Bonds10

About N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzamide

N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzamide (PubChem CID 88532151) has the molecular formula C24H24N4O6S and a molecular weight of 496.55 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzamide
PubChem CID88532151
Molecular FormulaC24H24N4O6S
Molecular Weight496.55 g/mol
Exact Mass496.14
IUPAC NameN-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzamide
SMILESCOCC(C)Oc1cc(Oc2ccc(-c3nnc(C)o3)cc2)cc(C(=O)Nc2ncc(CO)s2)c1
InChIInChI=1S/C24H24N4O6S/c1-14(13-31-3)32-19-8-17(22(30)26-24-25-11-21(12-29)35-24)9-20(10-19)34-18-6-4-16(5-7-18)23-28-27-15(2)33-23/h4-11,14,29H,12-13H2,1-3H3,(H,25,26,30)
InChIKeyCYUYHEVVVDQECK-UHFFFAOYSA-N
XLogP4.45
TPSA128.83 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzamide?
The IUPAC name of N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzamide (CID 88532151) is N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzamide.
What is the SMILES notation for N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzamide?
The canonical SMILES for N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzamide is COCC(C)Oc1cc(Oc2ccc(-c3nnc(C)o3)cc2)cc(C(=O)Nc2ncc(CO)s2)c1.
What is the InChIKey of N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzamide?
The InChIKey is CYUYHEVVVDQECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O6S/c1-14(13-31-3)32-19-8-17(22(30)26-24-25-11-21(12-29)35-24)9-20(10-19)34-18-6-4-16(5-7-18)23-28-27-15(2)33-23/h4-11,14,29H,12-13H2,1-3H3,(H,25,26,30).
What are the key properties of N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzamide?
N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzamide has a molecular weight of 496.55 g/mol, XLogP of 4.45, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzamide is sourced from PubChem (CID 88532151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).