N-(1,3-benzothiazol-6-yl)-4-methyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide

C21H22N4O3S — CID 172661523

IUPACN-(1,3-benzothiazol-6-yl)-4-methyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C21H22N4O3S/c1-14-2-3-15(10-18(14)24-20(26)12-25-6-8-28-9-7-25)21(27)23-16-4-5-17-19(11-16)29-13-22-17/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,27)(H,24,26)
InChIKeyQQAYIHDSXKFMIM-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.13
Rot. Bonds5

About N-(1,3-benzothiazol-6-yl)-4-methyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide

N-(1,3-benzothiazol-6-yl)-4-methyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide (PubChem CID 172661523) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-4-methyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-4-methyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide
PubChem CID172661523
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-(1,3-benzothiazol-6-yl)-4-methyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C21H22N4O3S/c1-14-2-3-15(10-18(14)24-20(26)12-25-6-8-28-9-7-25)21(27)23-16-4-5-17-19(11-16)29-13-22-17/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,27)(H,24,26)
InChIKeyQQAYIHDSXKFMIM-UHFFFAOYSA-N
XLogP3.13
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[4-methyl-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 143219426
N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide
CID 103956522
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride
CID 90485324
N-(3-methylbenzimidazol-5-yl)-3-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 46974295
N-cyclopent-2-en-1-yl-4-methyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 172668501
4-methylsulfanyl-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide
CID 86299107
N-(1,3-benzothiazol-6-yl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 112525792
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1,3-benzothiazole-6-carboxamide
CID 9101706
4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide
CID 86298920
3-methyl-N-(4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 157492657

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-4-methyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-4-methyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide (CID 172661523) is N-(1,3-benzothiazol-6-yl)-4-methyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-4-methyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-4-methyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide is Cc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1NC(=O)CN1CCOCC1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-4-methyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide?
The InChIKey is QQAYIHDSXKFMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-14-2-3-15(10-18(14)24-20(26)12-25-6-8-28-9-7-25)21(27)23-16-4-5-17-19(11-16)29-13-22-17/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-(1,3-benzothiazol-6-yl)-4-methyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide?
N-(1,3-benzothiazol-6-yl)-4-methyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide has a molecular weight of 410.50 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-4-methyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide is sourced from PubChem (CID 172661523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).