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

C18H15Cl2N3O2S — CID 40613036

IUPAC2,4-dichloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2N3O2S/c19-11-1-3-13(14(20)9-11)17(24)22-18-21-15-4-2-12(10-16(15)26-18)23-5-7-25-8-6-23/h1-4,9-10H,5-8H2,(H,21,22,24)
InChIKeyHOHWKEQIZDEXBC-UHFFFAOYSA-N
MW408.31 g/mol
LogP4.69
Rot. Bonds3

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

2,4-dichloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 40613036) has the molecular formula C18H15Cl2N3O2S and a molecular weight of 408.31 g/mol. Its IUPAC name is 2,4-dichloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide
PubChem CID40613036
Molecular FormulaC18H15Cl2N3O2S
Molecular Weight408.31 g/mol
Exact Mass407.03
IUPAC Name2,4-dichloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2N3O2S/c19-11-1-3-13(14(20)9-11)17(24)22-18-21-15-4-2-12(10-16(15)26-18)23-5-7-25-8-6-23/h1-4,9-10H,5-8H2,(H,21,22,24)
InChIKeyHOHWKEQIZDEXBC-UHFFFAOYSA-N
XLogP4.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 4685074
5-chloro-2-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 3941772
2-chloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)acetamide
CID 17244599
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylbenzamide
CID 40606717
N-(6-chloro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028174
N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-phenylbenzamide
CID 40613052
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
2-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 5213183
2,4-dichloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 979290
N-(1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405947
4-fluoro-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 3542044

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide (CID 40613036) is 2,4-dichloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide is O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is HOHWKEQIZDEXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2S/c19-11-1-3-13(14(20)9-11)17(24)22-18-21-15-4-2-12(10-16(15)26-18)23-5-7-25-8-6-23/h1-4,9-10H,5-8H2,(H,21,22,24).
What are the key properties of 2,4-dichloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide?
2,4-dichloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 408.31 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 40613036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).