N-(6-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide

C19H19N3O3S — CID 146405955

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
SMILESCOc1ccc2nc(NC(=O)c3ccc(N4CCOCC4)cc3)sc2c1
InChIInChI=1S/C19H19N3O3S/c1-24-15-6-7-16-17(12-15)26-19(20-16)21-18(23)13-2-4-14(5-3-13)22-8-10-25-11-9-22/h2-7,12H,8-11H2,1H3,(H,20,21,23)
InChIKeyBDLBOSKLAVMJJO-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.39
Rot. Bonds4

About N-(6-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide (PubChem CID 146405955) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
PubChem CID146405955
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
SMILESCOc1ccc2nc(NC(=O)c3ccc(N4CCOCC4)cc3)sc2c1
InChIInChI=1S/C19H19N3O3S/c1-24-15-6-7-16-17(12-15)26-19(20-16)21-18(23)13-2-4-14(5-3-13)22-8-10-25-11-9-22/h2-7,12H,8-11H2,1H3,(H,20,21,23)
InChIKeyBDLBOSKLAVMJJO-UHFFFAOYSA-N
XLogP3.39
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
US10251893, Cpd 6
CID 46926811
4-(diethylamino)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide
CID 132941757
2-Hydroxy-N-(6-methoxy-benzothiazol-2-yl)-benzamide
CID 782771
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 708625
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
2-Methyl-benzothiazole-6-carboxylic acid (4-methoxy-phenyl)-amide
CID 1085963
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
N-(4-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 1548582

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide (CID 146405955) is N-(6-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide is COc1ccc2nc(NC(=O)c3ccc(N4CCOCC4)cc3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide?
The InChIKey is BDLBOSKLAVMJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-15-6-7-16-17(12-15)26-19(20-16)21-18(23)13-2-4-14(5-3-13)22-8-10-25-11-9-22/h2-7,12H,8-11H2,1H3,(H,20,21,23).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide has a molecular weight of 369.45 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 146405955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).