N-(5-chloro-1,3-benzothiazol-2-yl)-3-(pyridin-3-ylmethoxy)benzamide

C20H14ClN3O2S — CID 112832632

IUPACN-(5-chloro-1,3-benzothiazol-2-yl)-3-(pyridin-3-ylmethoxy)benzamide
SMILESO=C(Nc1nc2cc(Cl)ccc2s1)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C20H14ClN3O2S/c21-15-6-7-18-17(10-15)23-20(27-18)24-19(25)14-4-1-5-16(9-14)26-12-13-3-2-8-22-11-13/h1-11H,12H2,(H,23,24,25)
InChIKeyNNRXXXWOMGHLOC-UHFFFAOYSA-N
MW395.87 g/mol
LogP5.18
Rot. Bonds5

About N-(5-chloro-1,3-benzothiazol-2-yl)-3-(pyridin-3-ylmethoxy)benzamide

N-(5-chloro-1,3-benzothiazol-2-yl)-3-(pyridin-3-ylmethoxy)benzamide (PubChem CID 112832632) has the molecular formula C20H14ClN3O2S and a molecular weight of 395.87 g/mol. Its IUPAC name is N-(5-chloro-1,3-benzothiazol-2-yl)-3-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-benzothiazol-2-yl)-3-(pyridin-3-ylmethoxy)benzamide
PubChem CID112832632
Molecular FormulaC20H14ClN3O2S
Molecular Weight395.87 g/mol
Exact Mass395.05
IUPAC NameN-(5-chloro-1,3-benzothiazol-2-yl)-3-(pyridin-3-ylmethoxy)benzamide
SMILESO=C(Nc1nc2cc(Cl)ccc2s1)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C20H14ClN3O2S/c21-15-6-7-18-17(10-15)23-20(27-18)24-19(25)14-4-1-5-16(9-14)26-12-13-3-2-8-22-11-13/h1-11H,12H2,(H,23,24,25)
InChIKeyNNRXXXWOMGHLOC-UHFFFAOYSA-N
XLogP5.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.87
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide
CID 4505668
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-phenylethoxy)benzamide
CID 54783416
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
3-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39105513
4-chloro-2-methoxy-N'-[3-(pyridin-3-ylmethoxy)benzoyl]benzohydrazide
CID 55792325
N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3606712
1-(6-chloro-1,3-benzothiazol-2-yl)-3-(pyridin-3-ylmethyl)urea
CID 110706299
3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide
CID 78889118
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208
N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
CID 78888043

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-benzothiazol-2-yl)-3-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-(5-chloro-1,3-benzothiazol-2-yl)-3-(pyridin-3-ylmethoxy)benzamide (CID 112832632) is N-(5-chloro-1,3-benzothiazol-2-yl)-3-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-(5-chloro-1,3-benzothiazol-2-yl)-3-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-(5-chloro-1,3-benzothiazol-2-yl)-3-(pyridin-3-ylmethoxy)benzamide is O=C(Nc1nc2cc(Cl)ccc2s1)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of N-(5-chloro-1,3-benzothiazol-2-yl)-3-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is NNRXXXWOMGHLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2S/c21-15-6-7-18-17(10-15)23-20(27-18)24-19(25)14-4-1-5-16(9-14)26-12-13-3-2-8-22-11-13/h1-11H,12H2,(H,23,24,25).
What are the key properties of N-(5-chloro-1,3-benzothiazol-2-yl)-3-(pyridin-3-ylmethoxy)benzamide?
N-(5-chloro-1,3-benzothiazol-2-yl)-3-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 395.87 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-benzothiazol-2-yl)-3-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 112832632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).