3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide

C25H29N3O2S — CID 59432555

IUPAC3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCOCC3)cc(-c3scnc3C)c2)cc1
InChIInChI=1S/C25H29N3O2S/c1-17-4-6-20(7-5-17)21-12-22(24-19(3)26-16-31-24)14-23(13-21)25(29)27-18(2)15-28-8-10-30-11-9-28/h4-7,12-14,16,18H,8-11,15H2,1-3H3,(H,27,29)/t18-/m1/s1
InChIKeyKUFCUTXKTVEAKW-GOSISDBHSA-N
MW435.59 g/mol
LogP4.54
Rot. Bonds6

About 3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide

3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide (PubChem CID 59432555) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide
PubChem CID59432555
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC Name3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCOCC3)cc(-c3scnc3C)c2)cc1
InChIInChI=1S/C25H29N3O2S/c1-17-4-6-20(7-5-17)21-12-22(24-19(3)26-16-31-24)14-23(13-21)25(29)27-18(2)15-28-8-10-30-11-9-28/h4-7,12-14,16,18H,8-11,15H2,1-3H3,(H,27,29)/t18-/m1/s1
InChIKeyKUFCUTXKTVEAKW-GOSISDBHSA-N
XLogP4.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide?
The IUPAC name of 3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide (CID 59432555) is 3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide.
What is the SMILES notation for 3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide?
The canonical SMILES for 3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide is Cc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCOCC3)cc(-c3scnc3C)c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide?
The InChIKey is KUFCUTXKTVEAKW-GOSISDBHSA-N. The full InChI is InChI=1S/C25H29N3O2S/c1-17-4-6-20(7-5-17)21-12-22(24-19(3)26-16-31-24)14-23(13-21)25(29)27-18(2)15-28-8-10-30-11-9-28/h4-7,12-14,16,18H,8-11,15H2,1-3H3,(H,27,29)/t18-/m1/s1.
What are the key properties of 3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide?
3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide has a molecular weight of 435.59 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-(4-methyl-1,3-thiazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide is sourced from PubChem (CID 59432555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).