N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide

C24H28ClN3O4S — CID 29159762

IUPACN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)N(CCCN2CCOCC2)c2nc3c(C)cc(Cl)cc3s2)cc1OC
InChIInChI=1S/C24H28ClN3O4S/c1-16-13-18(25)15-21-22(16)26-24(33-21)28(8-4-7-27-9-11-32-12-10-27)23(29)17-5-6-19(30-2)20(14-17)31-3/h5-6,13-15H,4,7-12H2,1-3H3
InChIKeyTXIUALWVSBCOGK-UHFFFAOYSA-N
MW490.03 g/mol
LogP4.64
Rot. Bonds8

About N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 29159762) has the molecular formula C24H28ClN3O4S and a molecular weight of 490.03 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID29159762
Molecular FormulaC24H28ClN3O4S
Molecular Weight490.03 g/mol
Exact Mass489.15
IUPAC NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)N(CCCN2CCOCC2)c2nc3c(C)cc(Cl)cc3s2)cc1OC
InChIInChI=1S/C24H28ClN3O4S/c1-16-13-18(25)15-21-22(16)26-24(33-21)28(8-4-7-27-9-11-32-12-10-27)23(29)17-5-6-19(30-2)20(14-17)31-3/h5-6,13-15H,4,7-12H2,1-3H3
InChIKeyTXIUALWVSBCOGK-UHFFFAOYSA-N
XLogP4.64
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.03
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44932557
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 29159803
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 29159895
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44903419
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3,4-dimethoxybenzamide;hydrochloride
CID 44910038
3-chloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29159393
3-chloro-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 29072973
4-butoxy-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44929334
N-(6-bromo-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43999149
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-nitrobenzamide;hydrochloride
CID 44932559
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(dibutylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43965682
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,3-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 29159580

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide (CID 29159762) is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide is COc1ccc(C(=O)N(CCCN2CCOCC2)c2nc3c(C)cc(Cl)cc3s2)cc1OC.
What is the InChIKey of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is TXIUALWVSBCOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O4S/c1-16-13-18(25)15-21-22(16)26-24(33-21)28(8-4-7-27-9-11-32-12-10-27)23(29)17-5-6-19(30-2)20(14-17)31-3/h5-6,13-15H,4,7-12H2,1-3H3.
What are the key properties of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 490.03 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 29159762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).