N-[3-(dimethylamino)propyl]-4-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide

C21H25N3O3S — CID 7512597

IUPACN-[3-(dimethylamino)propyl]-4-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)N(CCCN(C)C)c2nc3cc(OC)ccc3s2)cc1
InChIInChI=1S/C21H25N3O3S/c1-23(2)12-5-13-24(20(25)15-6-8-16(26-3)9-7-15)21-22-18-14-17(27-4)10-11-19(18)28-21/h6-11,14H,5,12-13H2,1-4H3
InChIKeyNPSMOUPUVOACKY-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.91
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-4-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide

N-[3-(dimethylamino)propyl]-4-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7512597) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID7512597
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-[3-(dimethylamino)propyl]-4-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)N(CCCN(C)C)c2nc3cc(OC)ccc3s2)cc1
InChIInChI=1S/C21H25N3O3S/c1-23(2)12-5-13-24(20(25)15-6-8-16(26-3)9-7-15)21-22-18-14-17(27-4)10-11-19(18)28-21/h6-11,14H,5,12-13H2,1-4H3
InChIKeyNPSMOUPUVOACKY-UHFFFAOYSA-N
XLogP3.91
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyano-N-[3-(dimethylamino)propyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7512601
N-[3-(dimethylamino)propyl]-4-(dimethylsulfamoyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 16808844
N-[2-(dimethylamino)ethyl]-4-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7510633
N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 7525204
4-[butyl(methyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 43964119
N-[3-(dimethylamino)propyl]-3-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44930842
N-[3-(dimethylamino)propyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 43964117
N-[3-(dimethylamino)propyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 24892586
N-[3-(dimethylamino)propyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 7512619
N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide;hydrochloride
CID 44924341
methyl 4-[3-(dimethylamino)propyl-(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43963488
N-[3-(dimethylamino)propyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 43964116

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 7512597) is N-[3-(dimethylamino)propyl]-4-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc(C(=O)N(CCCN(C)C)c2nc3cc(OC)ccc3s2)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is NPSMOUPUVOACKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-23(2)12-5-13-24(20(25)15-6-8-16(26-3)9-7-15)21-22-18-14-17(27-4)10-11-19(18)28-21/h6-11,14H,5,12-13H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)propyl]-4-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide?
N-[3-(dimethylamino)propyl]-4-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 399.52 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7512597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).