N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide

C21H15ClN2O2S — CID 4505668

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C21H15ClN2O2S/c22-16-9-10-18-19(12-16)27-21(23-18)24-20(25)15-7-4-8-17(11-15)26-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,23,24,25)
InChIKeyMCILTDSSKXUEFM-UHFFFAOYSA-N
MW394.88 g/mol
LogP5.78
Rot. Bonds5

About N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide

N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide (PubChem CID 4505668) has the molecular formula C21H15ClN2O2S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide
PubChem CID4505668
Molecular FormulaC21H15ClN2O2S
Molecular Weight394.88 g/mol
Exact Mass394.05
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C21H15ClN2O2S/c22-16-9-10-18-19(12-16)27-21(23-18)24-20(25)15-7-4-8-17(11-15)26-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,23,24,25)
InChIKeyMCILTDSSKXUEFM-UHFFFAOYSA-N
XLogP5.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.88
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-phenylethoxy)benzamide
CID 54783416
N-(5-chloro-1,3-benzothiazol-2-yl)-3-(pyridin-3-ylmethoxy)benzamide
CID 112832632
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide
CID 39380341
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropoxy)benzamide
CID 4505881
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(chloromethyl)benzamide
CID 43156338
N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3606712
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514
N-[2-(1,3-benzothiazol-2-yl)-4,6-dichlorophenyl]-3-phenylmethoxybenzamide
CID 17116628
N-(3-chloro-4-fluorophenyl)-3-phenylmethoxybenzamide
CID 1074686
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide
CID 2271389

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide (CID 4505668) is N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide is O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide?
The InChIKey is MCILTDSSKXUEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O2S/c22-16-9-10-18-19(12-16)27-21(23-18)24-20(25)15-7-4-8-17(11-15)26-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,23,24,25).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide has a molecular weight of 394.88 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide is sourced from PubChem (CID 4505668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).