N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide

C15H10F2N2O2S — CID 141404448

IUPACN-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc3cc(F)c(F)cc3s2)c1
InChIInChI=1S/C15H10F2N2O2S/c1-21-9-4-2-3-8(5-9)14(20)19-15-18-12-6-10(16)11(17)7-13(12)22-15/h2-7H,1H3,(H,18,19,20)
InChIKeyZSVJOMYJXPZZEU-UHFFFAOYSA-N
MW320.32 g/mol
LogP3.84
Rot. Bonds3

About N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide

N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide (PubChem CID 141404448) has the molecular formula C15H10F2N2O2S and a molecular weight of 320.32 g/mol. Its IUPAC name is N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
PubChem CID141404448
Molecular FormulaC15H10F2N2O2S
Molecular Weight320.32 g/mol
Exact Mass320.04
IUPAC NameN-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc3cc(F)c(F)cc3s2)c1
InChIInChI=1S/C15H10F2N2O2S/c1-21-9-4-2-3-8(5-9)14(20)19-15-18-12-6-10(16)11(17)7-13(12)22-15/h2-7H,1H3,(H,18,19,20)
InChIKeyZSVJOMYJXPZZEU-UHFFFAOYSA-N
XLogP3.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5,6-difluoro-1,3-benzothiazol-2-yl)-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

Related Compounds

N-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide
CID 142741981
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 5131349
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide
CID 47086370
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 741712
4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 87059661
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 7543008
N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-methoxybenzamide
CID 3390334
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
3-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7578979
N-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide
CID 2332353
methyl 2-[(3-propan-2-yloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17128823

Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide?
The IUPAC name of N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide (CID 141404448) is N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide?
The canonical SMILES for N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2nc3cc(F)c(F)cc3s2)c1.
What is the InChIKey of N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide?
The InChIKey is ZSVJOMYJXPZZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2S/c1-21-9-4-2-3-8(5-9)14(20)19-15-18-12-6-10(16)11(17)7-13(12)22-15/h2-7H,1H3,(H,18,19,20).
What are the key properties of N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide?
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide has a molecular weight of 320.32 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide is sourced from PubChem (CID 141404448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).