N-(1,3-benzothiazol-6-yl)-3,5-dihydroxybenzamide

C14H10N2O3S — CID 104938868

IUPACN-(1,3-benzothiazol-6-yl)-3,5-dihydroxybenzamide
SMILESO=C(Nc1ccc2ncsc2c1)c1cc(O)cc(O)c1
InChIInChI=1S/C14H10N2O3S/c17-10-3-8(4-11(18)6-10)14(19)16-9-1-2-12-13(5-9)20-7-15-12/h1-7,17-18H,(H,16,19)
InChIKeyPTPLBKFVUKKADC-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.96
Rot. Bonds2

About N-(1,3-benzothiazol-6-yl)-3,5-dihydroxybenzamide

N-(1,3-benzothiazol-6-yl)-3,5-dihydroxybenzamide (PubChem CID 104938868) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-3,5-dihydroxybenzamide
PubChem CID104938868
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC NameN-(1,3-benzothiazol-6-yl)-3,5-dihydroxybenzamide
SMILESO=C(Nc1ccc2ncsc2c1)c1cc(O)cc(O)c1
InChIInChI=1S/C14H10N2O3S/c17-10-3-8(4-11(18)6-10)14(19)16-9-1-2-12-13(5-9)20-7-15-12/h1-7,17-18H,(H,16,19)
InChIKeyPTPLBKFVUKKADC-UHFFFAOYSA-N
XLogP2.96
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide
CID 103956522
4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide
CID 107802439
N-(1,3-benzothiazol-6-yl)-3-bromo-4-fluorobenzamide
CID 103706835
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 131934820
N-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide
CID 2092315
N-(1,3-benzothiazol-6-yl)-5-(methylamino)pyridine-2-carboxamide
CID 107801394
N-(1,3-benzothiazol-6-yl)-5-chlorofuran-2-carboxamide
CID 113223158
6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
CID 107801365
N-(1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
CID 16858046
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
methyl 2-(1,3-benzothiazol-6-ylamino)-2-oxoacetate
CID 107800350

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-3,5-dihydroxybenzamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-3,5-dihydroxybenzamide (CID 104938868) is N-(1,3-benzothiazol-6-yl)-3,5-dihydroxybenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-3,5-dihydroxybenzamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-3,5-dihydroxybenzamide is O=C(Nc1ccc2ncsc2c1)c1cc(O)cc(O)c1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-3,5-dihydroxybenzamide?
The InChIKey is PTPLBKFVUKKADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c17-10-3-8(4-11(18)6-10)14(19)16-9-1-2-12-13(5-9)20-7-15-12/h1-7,17-18H,(H,16,19).
What are the key properties of N-(1,3-benzothiazol-6-yl)-3,5-dihydroxybenzamide?
N-(1,3-benzothiazol-6-yl)-3,5-dihydroxybenzamide has a molecular weight of 286.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-3,5-dihydroxybenzamide is sourced from PubChem (CID 104938868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).