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

C15H11ClN2O2S — CID 11220874

IUPAC4-chloro-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide
SMILESO=C(Nc1ccc2sc(CO)nc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O2S/c16-10-3-1-9(2-4-10)15(20)17-11-5-6-13-12(7-11)18-14(8-19)21-13/h1-7,19H,8H2,(H,17,20)
InChIKeyRNSCUEUDZWDJLR-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.69
Rot. Bonds3

About 4-chloro-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide

4-chloro-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide (PubChem CID 11220874) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is 4-chloro-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide
PubChem CID11220874
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.79 g/mol
Exact Mass318.02
IUPAC Name4-chloro-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide
SMILESO=C(Nc1ccc2sc(CO)nc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O2S/c16-10-3-1-9(2-4-10)15(20)17-11-5-6-13-12(7-11)18-14(8-19)21-13/h1-7,19H,8H2,(H,17,20)
InChIKeyRNSCUEUDZWDJLR-UHFFFAOYSA-N
XLogP3.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Bromo-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide
CID 9950886
4-tert-butyl-N-[2-(1-hydroxyethyl)-1,3-benzothiazol-5-yl]benzamide
CID 11210430
4-Bromo-n-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-2-methylbenzamide
CID 11417553
4-tert-Butyl-N-(2-hydroxymethyl-1,3-benzothiazol-5-yl)-benzamide
CID 11461948
4-Chloro-n-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-2-methylbenzamide
CID 11566168
4-Ethynyl-n-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide
CID 11601992
n-[2-(Hydroxymethyl)-1,3-benzothiazol-5-yl]-4-(trifluoromethyl)benzamide
CID 11610007
N-(2-chlorophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 1085965
N-[2-(4-chlorophenyl)-1,3-benzothiazol-5-yl]-2-methylpropanamide
CID 53237680
N-(1,3-benzothiazol-5-yl)-3,5-dichlorobenzamide
CID 90643788
N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]benzamide
CID 130247433
N-(2-phenyl-1,3-benzothiazol-5-yl)benzamide
CID 130248048

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide?
The IUPAC name of 4-chloro-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide (CID 11220874) is 4-chloro-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide is O=C(Nc1ccc2sc(CO)nc2c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide?
The InChIKey is RNSCUEUDZWDJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c16-10-3-1-9(2-4-10)15(20)17-11-5-6-13-12(7-11)18-14(8-19)21-13/h1-7,19H,8H2,(H,17,20).
What are the key properties of 4-chloro-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide?
4-chloro-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide has a molecular weight of 318.79 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide is sourced from PubChem (CID 11220874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).