N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide

C21H16N2O3S — CID 1104009

IUPACN-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)cc1
InChIInChI=1S/C21H16N2O3S/c1-26-15-9-6-13(7-10-15)20(25)22-14-8-11-16(18(24)12-14)21-23-17-4-2-3-5-19(17)27-21/h2-12,24H,1H3,(H,22,25)
InChIKeyAZRFSNQXVAMFPI-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.93
Rot. Bonds4

About N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide

N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide (PubChem CID 1104009) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide
PubChem CID1104009
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)cc1
InChIInChI=1S/C21H16N2O3S/c1-26-15-9-6-13(7-10-15)20(25)22-14-8-11-16(18(24)12-14)21-23-17-4-2-3-5-19(17)27-21/h2-12,24H,1H3,(H,22,25)
InChIKeyAZRFSNQXVAMFPI-UHFFFAOYSA-N
XLogP4.93
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-3,4-dimethoxybenzamide
CID 1363526
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-3,4,5-trimethoxybenzamide
CID 1364682
N-[[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-3,5-dimethoxybenzamide
CID 3411056
N-[4-(1,3-benzothiazol-2-yl)-3-methylphenyl]-3-methoxybenzamide
CID 46364016
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide
CID 2756593
N-[2-(1,3-benzothiazol-2-yl)-4-methoxyphenyl]-4-methylbenzamide
CID 170058376
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-4-methylsulfanylbenzamide
CID 135732210
N-[[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]carbamothioyl]acetamide
CID 137075432
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide
CID 2067664
N-[[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-4-nitrobenzamide
CID 3747081
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 135754088
4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide
CID 26181585

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide (CID 1104009) is N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)cc1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide?
The InChIKey is AZRFSNQXVAMFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S/c1-26-15-9-6-13(7-10-15)20(25)22-14-8-11-16(18(24)12-14)21-23-17-4-2-3-5-19(17)27-21/h2-12,24H,1H3,(H,22,25).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide?
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide has a molecular weight of 376.44 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide is sourced from PubChem (CID 1104009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).