N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide

C20H19ClN2O6S — CID 71731673

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1cccc([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1
InChIInChI=1S/C20H19ClN2O6S/c21-11-4-5-12-14(7-11)30-20(22-12)23-19(28)10-3-1-2-9(6-10)18-17(27)16(26)15(25)13(8-24)29-18/h1-7,13,15-18,24-27H,8H2,(H,22,23,28)/t13-,15-,16+,17+,18-/m1/s1
InChIKeyPVSZKZYKHUOXLM-FWEDZOCSSA-N
MW450.90 g/mol
LogP1.72
Rot. Bonds4

About N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide

N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide (PubChem CID 71731673) has the molecular formula C20H19ClN2O6S and a molecular weight of 450.90 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
PubChem CID71731673
Molecular FormulaC20H19ClN2O6S
Molecular Weight450.90 g/mol
Exact Mass450.07
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1cccc([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1
InChIInChI=1S/C20H19ClN2O6S/c21-11-4-5-12-14(7-11)30-20(22-12)23-19(28)10-3-1-2-9(6-10)18-17(27)16(26)15(25)13(8-24)29-18/h1-7,13,15-18,24-27H,8H2,(H,22,23,28)/t13-,15-,16+,17+,18-/m1/s1
InChIKeyPVSZKZYKHUOXLM-FWEDZOCSSA-N
XLogP1.72
TPSA132.14 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.90
LogP ≤ 51.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide with MolForge

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-3-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
CID 123252081
(2R,3R,4S,5R)-2-(6-chloro-1,3-benzothiazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 57499565
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
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 43436936
N-naphthalen-2-yl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
CID 78162415
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-phenylethoxy)benzamide
CID 54783416
3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396
N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107020053
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropoxy)benzamide
CID 4505881

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide (CID 71731673) is N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide is O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide?
The InChIKey is PVSZKZYKHUOXLM-FWEDZOCSSA-N. The full InChI is InChI=1S/C20H19ClN2O6S/c21-11-4-5-12-14(7-11)30-20(22-12)23-19(28)10-3-1-2-9(6-10)18-17(27)16(26)15(25)13(8-24)29-18/h1-7,13,15-18,24-27H,8H2,(H,22,23,28)/t13-,15-,16+,17+,18-/m1/s1.
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide has a molecular weight of 450.90 g/mol, XLogP of 1.72, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide is sourced from PubChem (CID 71731673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).