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

C15H15N3O2S — CID 16879982

IUPAC3-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)/N=c2\sc3ccc(C)c(C)c3n2C)on1
InChIInChI=1S/C15H15N3O2S/c1-8-5-6-12-13(10(8)3)18(4)15(21-12)16-14(19)11-7-9(2)17-20-11/h5-7H,1-4H3/b16-15-
InChIKeyVIAKNBJSMAHAGX-NXVVXOECSA-N
MW301.37 g/mol
LogP2.89
Rot. Bonds1

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

3-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide (PubChem CID 16879982) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide
PubChem CID16879982
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name3-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)/N=c2\sc3ccc(C)c(C)c3n2C)on1
InChIInChI=1S/C15H15N3O2S/c1-8-5-6-12-13(10(8)3)18(4)15(21-12)16-14(19)11-7-9(2)17-20-11/h5-7H,1-4H3/b16-15-
InChIKeyVIAKNBJSMAHAGX-NXVVXOECSA-N
XLogP2.89
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5001748
4-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7553228
3,4-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3474147
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-5-methyl-1,2-oxazole-3-carboxamide
CID 16953844
2-methylsulfanyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40951787
2,5-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 16848905
2-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7553153
N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
CID 5112536
5-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide
CID 16953837
3-methyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide
CID 16880087
N-[6-fluoro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-methyl-1,2-oxazole-5-carboxamide
CID 16880160
methyl 2-[6-methyl-2-(3-methyl-1,2-oxazole-5-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CID 16880042

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide (CID 16879982) is 3-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)/N=c2\sc3ccc(C)c(C)c3n2C)on1.
What is the InChIKey of 3-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide?
The InChIKey is VIAKNBJSMAHAGX-NXVVXOECSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-8-5-6-12-13(10(8)3)18(4)15(21-12)16-14(19)11-7-9(2)17-20-11/h5-7H,1-4H3/b16-15-.
What are the key properties of 3-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide?
3-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16879982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).