N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide

C13H11N3O3S — CID 41149518

IUPACN-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide
SMILESCOc1cccc2s/c(=N\C(=O)c3ccno3)n(C)c12
InChIInChI=1S/C13H11N3O3S/c1-16-11-8(18-2)4-3-5-10(11)20-13(16)15-12(17)9-6-7-14-19-9/h3-7H,1-2H3/b15-13-
InChIKeyYKCATBGSKPYFPN-SQFISAMPSA-N
MW289.32 g/mol
LogP1.98
Rot. Bonds2

About N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide

N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide (PubChem CID 41149518) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide
PubChem CID41149518
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC NameN-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide
SMILESCOc1cccc2s/c(=N\C(=O)c3ccno3)n(C)c12
InChIInChI=1S/C13H11N3O3S/c1-16-11-8(18-2)4-3-5-10(11)20-13(16)15-12(17)9-6-7-14-19-9/h3-7H,1-2H3/b15-13-
InChIKeyYKCATBGSKPYFPN-SQFISAMPSA-N
XLogP1.98
TPSA69.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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)benzamide
CID 4051036
3,5-dichloro-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5175515
4-benzyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4067124
N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-7-methoxy-1-benzofuran-2-carboxamide
CID 40889674
N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide
CID 42525037
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide
CID 2151078
3-(4-fluorophenyl)sulfonyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
CID 18573209
2,6-dimethoxy-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 7153141
N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide
CID 3416076
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 2151051
N-[(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]-4-methylbenzamide
CID 3558379

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide (CID 41149518) is N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide is COc1cccc2s/c(=N\C(=O)c3ccno3)n(C)c12.
What is the InChIKey of N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide?
The InChIKey is YKCATBGSKPYFPN-SQFISAMPSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-16-11-8(18-2)4-3-5-10(11)20-13(16)15-12(17)9-6-7-14-19-9/h3-7H,1-2H3/b15-13-.
What are the key properties of N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide?
N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide has a molecular weight of 289.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 41149518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).