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

C24H27N3O2S — CID 59432539

IUPAC3-(4-methylphenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCOCC3)cc(-c3nccs3)c2)cc1
InChIInChI=1S/C24H27N3O2S/c1-17-3-5-19(6-4-17)20-13-21(15-22(14-20)24-25-7-12-30-24)23(28)26-18(2)16-27-8-10-29-11-9-27/h3-7,12-15,18H,8-11,16H2,1-2H3,(H,26,28)/t18-/m1/s1
InChIKeyZJRRVRSVYJPIFT-GOSISDBHSA-N
MW421.57 g/mol
LogP4.24
Rot. Bonds6

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

3-(4-methylphenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide (PubChem CID 59432539) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide
PubChem CID59432539
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name3-(4-methylphenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCOCC3)cc(-c3nccs3)c2)cc1
InChIInChI=1S/C24H27N3O2S/c1-17-3-5-19(6-4-17)20-13-21(15-22(14-20)24-25-7-12-30-24)23(28)26-18(2)16-27-8-10-29-11-9-27/h3-7,12-15,18H,8-11,16H2,1-2H3,(H,26,28)/t18-/m1/s1
InChIKeyZJRRVRSVYJPIFT-GOSISDBHSA-N
XLogP4.24
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(4-methylphenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide (CID 59432539) is 3-(4-methylphenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide is Cc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCOCC3)cc(-c3nccs3)c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide?
The InChIKey is ZJRRVRSVYJPIFT-GOSISDBHSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-17-3-5-19(6-4-17)20-13-21(15-22(14-20)24-25-7-12-30-24)23(28)26-18(2)16-27-8-10-29-11-9-27/h3-7,12-15,18H,8-11,16H2,1-2H3,(H,26,28)/t18-/m1/s1.
What are the key properties of 3-(4-methylphenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide?
3-(4-methylphenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide has a molecular weight of 421.57 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 59432539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).