N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

C16H14N2O2S — CID 4051036

IUPACN-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCOc1cccc2s/c(=N\C(=O)c3ccccc3)n(C)c12
InChIInChI=1S/C16H14N2O2S/c1-18-14-12(20-2)9-6-10-13(14)21-16(18)17-15(19)11-7-4-3-5-8-11/h3-10H,1-2H3/b17-16-
InChIKeyZDZBOSHGRJYIBB-MSUUIHNZSA-N
MW298.37 g/mol
LogP2.99
Rot. Bonds2

About N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 4051036) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound NameN-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID4051036
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCOc1cccc2s/c(=N\C(=O)c3ccccc3)n(C)c12
InChIInChI=1S/C16H14N2O2S/c1-18-14-12(20-2)9-6-10-13(14)21-16(18)17-15(19)11-7-4-3-5-8-11/h3-10H,1-2H3/b17-16-
InChIKeyZDZBOSHGRJYIBB-MSUUIHNZSA-N
XLogP2.99
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4067124
3,5-dichloro-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5175515
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5224044
N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]benzamide
CID 7153214
N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 3316524
N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide
CID 41149518
methyl 2-[2-(4-benzoylbenzoyl)imino-4-methoxy-1,3-benzothiazol-3-yl]acetate
CID 41204644
N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenoxybenzamide
CID 40888522
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 2151051
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide
CID 2151078
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 40885648
N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide
CID 3416076

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (CID 4051036) is N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is COc1cccc2s/c(=N\C(=O)c3ccccc3)n(C)c12.
What is the InChIKey of N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is ZDZBOSHGRJYIBB-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-18-14-12(20-2)9-6-10-13(14)21-16(18)17-15(19)11-7-4-3-5-8-11/h3-10H,1-2H3/b17-16-.
What are the key properties of N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 298.37 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 4051036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).