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

C14H9ClN2O2S — CID 106501274

IUPACN-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide
SMILESO=C(Nc1nc2ccccc2s1)c1cc(O)ccc1Cl
InChIInChI=1S/C14H9ClN2O2S/c15-10-6-5-8(18)7-9(10)13(19)17-14-16-11-3-1-2-4-12(11)20-14/h1-7,18H,(H,16,17,19)
InChIKeyGNORKLQOEIAFFI-UHFFFAOYSA-N
MW304.76 g/mol
LogP3.91
Rot. Bonds2

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

N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide (PubChem CID 106501274) has the molecular formula C14H9ClN2O2S and a molecular weight of 304.76 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide
PubChem CID106501274
Molecular FormulaC14H9ClN2O2S
Molecular Weight304.76 g/mol
Exact Mass304.01
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide
SMILESO=C(Nc1nc2ccccc2s1)c1cc(O)ccc1Cl
InChIInChI=1S/C14H9ClN2O2S/c15-10-6-5-8(18)7-9(10)13(19)17-14-16-11-3-1-2-4-12(11)20-14/h1-7,18H,(H,16,17,19)
InChIKeyGNORKLQOEIAFFI-UHFFFAOYSA-N
XLogP3.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 54516374
2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide
CID 29284368
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
N-(1,3-benzothiazol-2-yl)-6-hydroxy-2-oxo-1H-quinoline-4-carboxamide
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N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
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N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide
CID 62236744
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-2-chloro-3,5-dinitrobenzamide
CID 3512224
N-(1,3-benzothiazol-2-yl)-2-chloro-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26370645
N-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide
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CID 23804633

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide (CID 106501274) is N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide is O=C(Nc1nc2ccccc2s1)c1cc(O)ccc1Cl.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide?
The InChIKey is GNORKLQOEIAFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2S/c15-10-6-5-8(18)7-9(10)13(19)17-14-16-11-3-1-2-4-12(11)20-14/h1-7,18H,(H,16,17,19).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide?
N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide has a molecular weight of 304.76 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide is sourced from PubChem (CID 106501274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).