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

C24H21N3O2S — CID 40613052

IUPACN-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide
SMILESO=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H21N3O2S/c28-23(19-8-6-18(7-9-19)17-4-2-1-3-5-17)26-24-25-21-11-10-20(16-22(21)30-24)27-12-14-29-15-13-27/h1-11,16H,12-15H2,(H,25,26,28)
InChIKeyYAUHYTGJIDGFKK-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.05
Rot. Bonds4

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

N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide (PubChem CID 40613052) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide
PubChem CID40613052
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC NameN-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide
SMILESO=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H21N3O2S/c28-23(19-8-6-18(7-9-19)17-4-2-1-3-5-17)26-24-25-21-11-10-20(16-22(21)30-24)27-12-14-29-15-13-27/h1-11,16H,12-15H2,(H,25,26,28)
InChIKeyYAUHYTGJIDGFKK-UHFFFAOYSA-N
XLogP5.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405947
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide
CID 40606717
4-morpholin-4-yl-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 146405943
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-propan-2-yloxybenzamide
CID 40604029
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405944
4-fluoro-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 3542044
2-chloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide
CID 17244599
2,4-dichloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide
CID 40613036
N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]-4-propan-2-ylbenzamide
CID 4275001
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
2-chloro-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 4685074
N-[6-(azetidin-1-ylsulfonyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 146421246

Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide?
The IUPAC name of N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide (CID 40613052) is N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide.
What is the SMILES notation for N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide?
The canonical SMILES for N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide is O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide?
The InChIKey is YAUHYTGJIDGFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c28-23(19-8-6-18(7-9-19)17-4-2-1-3-5-17)26-24-25-21-11-10-20(16-22(21)30-24)27-12-14-29-15-13-27/h1-11,16H,12-15H2,(H,25,26,28).
What are the key properties of N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide?
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide has a molecular weight of 415.52 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide is sourced from PubChem (CID 40613052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).