N-(6-chloro-1,3-benzothiazol-2-yl)-3-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide

C20H19ClN2O5S — CID 123252081

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-3-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(C2OC(CO)C(O)CC2O)c1
InChIInChI=1S/C20H19ClN2O5S/c21-12-4-5-13-17(7-12)29-20(22-13)23-19(27)11-3-1-2-10(6-11)18-15(26)8-14(25)16(9-24)28-18/h1-7,14-16,18,24-26H,8-9H2,(H,22,23,27)
InChIKeyAFXIBFZDJITNQP-UHFFFAOYSA-N
MW434.90 g/mol
LogP2.75
Rot. Bonds4

About N-(6-chloro-1,3-benzothiazol-2-yl)-3-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide

N-(6-chloro-1,3-benzothiazol-2-yl)-3-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide (PubChem CID 123252081) has the molecular formula C20H19ClN2O5S and a molecular weight of 434.90 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-3-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
PubChem CID123252081
Molecular FormulaC20H19ClN2O5S
Molecular Weight434.90 g/mol
Exact Mass434.07
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(C2OC(CO)C(O)CC2O)c1
InChIInChI=1S/C20H19ClN2O5S/c21-12-4-5-13-17(7-12)29-20(22-13)23-19(27)11-3-1-2-10(6-11)18-15(26)8-14(25)16(9-24)28-18/h1-7,14-16,18,24-26H,8-9H2,(H,22,23,27)
InChIKeyAFXIBFZDJITNQP-UHFFFAOYSA-N
XLogP2.75
TPSA111.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.90
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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Related Compounds

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
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(chloromethyl)benzamide
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N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3606712
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
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CID 43436936
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(1,3-dithiolan-2-yl)benzamide
CID 8582473
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
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-phenylmethoxybenzamide
CID 4505668
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropoxy)benzamide
CID 4505881
3-chloro-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide (CID 123252081) is N-(6-chloro-1,3-benzothiazol-2-yl)-3-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-3-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-3-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide is O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(C2OC(CO)C(O)CC2O)c1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-3-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide?
The InChIKey is AFXIBFZDJITNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O5S/c21-12-4-5-13-17(7-12)29-20(22-13)23-19(27)11-3-1-2-10(6-11)18-15(26)8-14(25)16(9-24)28-18/h1-7,14-16,18,24-26H,8-9H2,(H,22,23,27).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-3-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-3-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide has a molecular weight of 434.90 g/mol, XLogP of 2.75, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-3-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide is sourced from PubChem (CID 123252081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).