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

C21H16N2O3S — CID 1104008

IUPACN-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)c1
InChIInChI=1S/C21H16N2O3S/c1-26-15-6-4-5-13(11-15)20(25)22-14-9-10-16(18(24)12-14)21-23-17-7-2-3-8-19(17)27-21/h2-12,24H,1H3,(H,22,25)
InChIKeyKXJCTOLOHIKYSP-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.93
Rot. Bonds4

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

N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-3-methoxybenzamide (PubChem CID 1104008) 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]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-3-methoxybenzamide
PubChem CID1104008
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)c1
InChIInChI=1S/C21H16N2O3S/c1-26-15-6-4-5-13(11-15)20(25)22-14-9-10-16(18(24)12-14)21-23-17-7-2-3-8-19(17)27-21/h2-12,24H,1H3,(H,22,25)
InChIKeyKXJCTOLOHIKYSP-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-3-methoxybenzamide (CID 1104008) is N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)c1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-3-methoxybenzamide?
The InChIKey is KXJCTOLOHIKYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S/c1-26-15-6-4-5-13(11-15)20(25)22-14-9-10-16(18(24)12-14)21-23-17-7-2-3-8-19(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]-3-methoxybenzamide?
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-3-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]-3-methoxybenzamide is sourced from PubChem (CID 1104008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).