N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride

C22H25Cl2N3O3S — CID 44900540

IUPACN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(C)ccc(Cl)c3s2)cc1.Cl
InChIInChI=1S/C22H24ClN3O3S.ClH/c1-15-3-8-18(23)20-19(15)24-22(30-20)26(10-9-25-11-13-29-14-12-25)21(27)16-4-6-17(28-2)7-5-16;/h3-8H,9-14H2,1-2H3;1H
InChIKeyVMANXZXNCWPFIX-UHFFFAOYSA-N
MW482.43 g/mol
LogP4.67
Rot. Bonds6

About N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride

N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride (PubChem CID 44900540) has the molecular formula C22H25Cl2N3O3S and a molecular weight of 482.43 g/mol. Its IUPAC name is N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
PubChem CID44900540
Molecular FormulaC22H25Cl2N3O3S
Molecular Weight482.43 g/mol
Exact Mass481.10
IUPAC NameN-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(C)ccc(Cl)c3s2)cc1.Cl
InChIInChI=1S/C22H24ClN3O3S.ClH/c1-15-3-8-18(23)20-19(15)24-22(30-20)26(10-9-25-11-13-29-14-12-25)21(27)16-4-6-17(28-2)7-5-16;/h3-8H,9-14H2,1-2H3;1H
InChIKeyVMANXZXNCWPFIX-UHFFFAOYSA-N
XLogP4.67
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.43
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-ethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 29138610
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide
CID 43997461
4-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 25319784
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide;hydrochloride
CID 18583463
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-nitrobenzamide
CID 29073169
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 43998363
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3,4-difluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 43997087
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 30851587
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)butanamide;hydrochloride
CID 44937706
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
CID 43998342
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 25319852
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide
CID 43997458

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
The IUPAC name of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride (CID 44900540) is N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
The canonical SMILES for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride is COc1ccc(C(=O)N(CCN2CCOCC2)c2nc3c(C)ccc(Cl)c3s2)cc1.Cl.
What is the InChIKey of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
The InChIKey is VMANXZXNCWPFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3S.ClH/c1-15-3-8-18(23)20-19(15)24-22(30-20)26(10-9-25-11-13-29-14-12-25)21(27)16-4-6-17(28-2)7-5-16;/h3-8H,9-14H2,1-2H3;1H.
What are the key properties of N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride has a molecular weight of 482.43 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 44900540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).