2,6-dimethoxy-N-(3-morpholin-4-ylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C25H29N3O4S — CID 1175856

IUPAC2,6-dimethoxy-N-(3-morpholin-4-ylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)N(CCCN1CCOCC1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C25H29N3O4S/c1-30-21-10-6-11-22(31-2)23(21)24(29)28(13-7-12-27-14-16-32-17-15-27)25-26-20(18-33-25)19-8-4-3-5-9-19/h3-6,8-11,18H,7,12-17H2,1-2H3
InChIKeyQZFNWHGGUBQAFO-UHFFFAOYSA-N
MW467.59 g/mol
LogP4.20
Rot. Bonds9

About 2,6-dimethoxy-N-(3-morpholin-4-ylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

2,6-dimethoxy-N-(3-morpholin-4-ylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 1175856) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(3-morpholin-4-ylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(3-morpholin-4-ylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID1175856
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC Name2,6-dimethoxy-N-(3-morpholin-4-ylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)N(CCCN1CCOCC1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C25H29N3O4S/c1-30-21-10-6-11-22(31-2)23(21)24(29)28(13-7-12-27-14-16-32-17-15-27)25-26-20(18-33-25)19-8-4-3-5-9-19/h3-6,8-11,18H,7,12-17H2,1-2H3
InChIKeyQZFNWHGGUBQAFO-UHFFFAOYSA-N
XLogP4.20
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 1172776
N-(3-morpholin-4-ylpropyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 171667869
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride
CID 6603084
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 29072776
N-[3-(azepan-1-yl)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 11524975
4-tert-butyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 1138644
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxybenzamide
CID 29070116
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide
CID 43998597
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 142893095
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 7615588
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 43999535
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44900464

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(3-morpholin-4-ylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(3-morpholin-4-ylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 1175856) is 2,6-dimethoxy-N-(3-morpholin-4-ylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(3-morpholin-4-ylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(3-morpholin-4-ylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is COc1cccc(OC)c1C(=O)N(CCCN1CCOCC1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 2,6-dimethoxy-N-(3-morpholin-4-ylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is QZFNWHGGUBQAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-30-21-10-6-11-22(31-2)23(21)24(29)28(13-7-12-27-14-16-32-17-15-27)25-26-20(18-33-25)19-8-4-3-5-9-19/h3-6,8-11,18H,7,12-17H2,1-2H3.
What are the key properties of 2,6-dimethoxy-N-(3-morpholin-4-ylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
2,6-dimethoxy-N-(3-morpholin-4-ylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 467.59 g/mol, XLogP of 4.20, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(3-morpholin-4-ylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 1175856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).