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

C19H19N3O2S — CID 146405954

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
SMILESCc1ccc2nc(NC(=O)c3ccc(N4CCOCC4)cc3)sc2c1
InChIInChI=1S/C19H19N3O2S/c1-13-2-7-16-17(12-13)25-19(20-16)21-18(23)14-3-5-15(6-4-14)22-8-10-24-11-9-22/h2-7,12H,8-11H2,1H3,(H,20,21,23)
InChIKeySZZZRXIIIMYPJS-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.69
Rot. Bonds3

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

N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide (PubChem CID 146405954) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
PubChem CID146405954
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
SMILESCc1ccc2nc(NC(=O)c3ccc(N4CCOCC4)cc3)sc2c1
InChIInChI=1S/C19H19N3O2S/c1-13-2-7-16-17(12-13)25-19(20-16)21-18(23)14-3-5-15(6-4-14)22-8-10-24-11-9-22/h2-7,12H,8-11H2,1H3,(H,20,21,23)
InChIKeySZZZRXIIIMYPJS-UHFFFAOYSA-N
XLogP3.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide (CID 146405954) is N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide is Cc1ccc2nc(NC(=O)c3ccc(N4CCOCC4)cc3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide?
The InChIKey is SZZZRXIIIMYPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-2-7-16-17(12-13)25-19(20-16)21-18(23)14-3-5-15(6-4-14)22-8-10-24-11-9-22/h2-7,12H,8-11H2,1H3,(H,20,21,23).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide has a molecular weight of 353.45 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 146405954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).