N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloro-2-hydroxybenzamide

C17H15ClN2O2S — CID 43069942

IUPACN-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloro-2-hydroxybenzamide
SMILESO=C(NCCCc1nc2ccccc2s1)c1cc(Cl)ccc1O
InChIInChI=1S/C17H15ClN2O2S/c18-11-7-8-14(21)12(10-11)17(22)19-9-3-6-16-20-13-4-1-2-5-15(13)23-16/h1-2,4-5,7-8,10,21H,3,6,9H2,(H,19,22)
InChIKeySOUFKMRCHLNOKA-UHFFFAOYSA-N
MW346.84 g/mol
LogP4.02
Rot. Bonds5

About N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloro-2-hydroxybenzamide

N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloro-2-hydroxybenzamide (PubChem CID 43069942) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloro-2-hydroxybenzamide
PubChem CID43069942
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloro-2-hydroxybenzamide
SMILESO=C(NCCCc1nc2ccccc2s1)c1cc(Cl)ccc1O
InChIInChI=1S/C17H15ClN2O2S/c18-11-7-8-14(21)12(10-11)17(22)19-9-3-6-16-20-13-4-1-2-5-15(13)23-16/h1-2,4-5,7-8,10,21H,3,6,9H2,(H,19,22)
InChIKeySOUFKMRCHLNOKA-UHFFFAOYSA-N
XLogP4.02
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1,3-benzothiazol-2-yl)propyl]-5-bromo-2-fluorobenzamide
CID 46426520
N-[3-(1,3-benzothiazol-2-yl)propyl]-2,5-dimethylthiophene-3-carboxamide
CID 38901273
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-chloro-5-(methylsulfamoyl)benzamide
CID 55492533
N-[4-[2-(1,3-benzothiazol-2-yl)ethylamino]-4-oxobutyl]-4-chlorobenzamide
CID 46823942
N-(1,3-benzothiazol-2-ylmethyl)-5-bromo-2-hydroxybenzamide
CID 43004261
N-[3-(1,3-benzothiazol-2-yl)propyl]pyrazine-2-carboxamide
CID 46426584
N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55457512
N-(3-bromopropyl)-5-chloro-2-hydroxybenzamide
CID 114307431
N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-5-chloro-2-hydroxybenzamide
CID 162738361
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-chloro-5-methylsulfonylbenzamide
CID 78810749
N-[3-(1,3-benzothiazol-2-yl)propyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 38900912
1,3-benzothiazol-2-ylmethyl 2,5-dichlorobenzoate
CID 2398017

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloro-2-hydroxybenzamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloro-2-hydroxybenzamide (CID 43069942) is N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloro-2-hydroxybenzamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloro-2-hydroxybenzamide is O=C(NCCCc1nc2ccccc2s1)c1cc(Cl)ccc1O.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloro-2-hydroxybenzamide?
The InChIKey is SOUFKMRCHLNOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c18-11-7-8-14(21)12(10-11)17(22)19-9-3-6-16-20-13-4-1-2-5-15(13)23-16/h1-2,4-5,7-8,10,21H,3,6,9H2,(H,19,22).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloro-2-hydroxybenzamide?
N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloro-2-hydroxybenzamide has a molecular weight of 346.84 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 43069942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).