2-methoxy-N-(7-oxo-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide

C21H18N2O3S — CID 3200265

IUPAC2-methoxy-N-(7-oxo-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1nc2c(s1)C(=O)CC(c1ccccc1)C2
InChIInChI=1S/C21H18N2O3S/c1-26-18-10-6-5-9-15(18)20(25)23-21-22-16-11-14(12-17(24)19(16)27-21)13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,22,23,25)
InChIKeyRIEYWHBOOVTBFB-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.32
Rot. Bonds4

About 2-methoxy-N-(7-oxo-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide

2-methoxy-N-(7-oxo-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide (PubChem CID 3200265) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-methoxy-N-(7-oxo-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(7-oxo-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide
PubChem CID3200265
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name2-methoxy-N-(7-oxo-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1nc2c(s1)C(=O)CC(c1ccccc1)C2
InChIInChI=1S/C21H18N2O3S/c1-26-18-10-6-5-9-15(18)20(25)23-21-22-16-11-14(12-17(24)19(16)27-21)13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,22,23,25)
InChIKeyRIEYWHBOOVTBFB-UHFFFAOYSA-N
XLogP4.32
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5R)-7-oxo-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl]acetamide
CID 714175
N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-2-methoxybenzamide
CID 5164971
2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5107128
(5R)-2-[(4-methoxybenzoyl)amino]-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carboxylic acid
CID 125170560
N-(5-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 155951835
2-tert-butyl-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 59128829
2-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 15282280
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 32864791
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide
CID 1307354
2-benzamido-N-methyl-7-oxo-N-propan-2-yl-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide
CID 45177633
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 5139354
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 803477

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(7-oxo-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-methoxy-N-(7-oxo-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide (CID 3200265) is 2-methoxy-N-(7-oxo-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-(7-oxo-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-methoxy-N-(7-oxo-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide is COc1ccccc1C(=O)Nc1nc2c(s1)C(=O)CC(c1ccccc1)C2.
What is the InChIKey of 2-methoxy-N-(7-oxo-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is RIEYWHBOOVTBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-26-18-10-6-5-9-15(18)20(25)23-21-22-16-11-14(12-17(24)19(16)27-21)13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,22,23,25).
What are the key properties of 2-methoxy-N-(7-oxo-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide?
2-methoxy-N-(7-oxo-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 378.45 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(7-oxo-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 3200265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).