4-(ethylaminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide

C24H23N3O2S — CID 22283069

IUPAC4-(ethylaminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCNCc1ccc(C(=O)Nc2nc3c(OC)ccc(-c4ccccc4)c3s2)cc1
InChIInChI=1S/C24H23N3O2S/c1-3-25-15-16-9-11-18(12-10-16)23(28)27-24-26-21-20(29-2)14-13-19(22(21)30-24)17-7-5-4-6-8-17/h4-14,25H,3,15H2,1-2H3,(H,26,27,28)
InChIKeyZOMYZKUBSPZZJQ-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.33
Rot. Bonds7

About 4-(ethylaminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide

4-(ethylaminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 22283069) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID22283069
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name4-(ethylaminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCNCc1ccc(C(=O)Nc2nc3c(OC)ccc(-c4ccccc4)c3s2)cc1
InChIInChI=1S/C24H23N3O2S/c1-3-25-15-16-9-11-18(12-10-16)23(28)27-24-26-21-20(29-2)14-13-19(22(21)30-24)17-7-5-4-6-8-17/h4-14,25H,3,15H2,1-2H3,(H,26,27,28)
InChIKeyZOMYZKUBSPZZJQ-UHFFFAOYSA-N
XLogP5.33
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-(propylaminomethyl)benzamide;hydrochloride
CID 22283213
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 22283126
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 10109223
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 22283032
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192494
2-[(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)amino]-2-oxoacetic acid
CID 22283377
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 7172907
4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41073963
4-[(dimethylamino)methyl]-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 137462623
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)morpholine-4-carboxamide
CID 10155956
N-[4-methoxy-7-(2-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 87471769
4-(diethylamino)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7152602

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide (CID 22283069) is 4-(ethylaminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide is CCNCc1ccc(C(=O)Nc2nc3c(OC)ccc(-c4ccccc4)c3s2)cc1.
What is the InChIKey of 4-(ethylaminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is ZOMYZKUBSPZZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-3-25-15-16-9-11-18(12-10-16)23(28)27-24-26-21-20(29-2)14-13-19(22(21)30-24)17-7-5-4-6-8-17/h4-14,25H,3,15H2,1-2H3,(H,26,27,28).
What are the key properties of 4-(ethylaminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide?
4-(ethylaminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 417.53 g/mol, XLogP of 5.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 22283069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).