5-phenyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide

C20H15N3O2S — CID 43943258

IUPAC5-phenyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide
SMILESC=CCn1/c(=N/C(=O)c2cc(-c3ccccc3)on2)sc2ccccc21
InChIInChI=1S/C20H15N3O2S/c1-2-12-23-16-10-6-7-11-18(16)26-20(23)21-19(24)15-13-17(25-22-15)14-8-4-3-5-9-14/h2-11,13H,1,12H2/b21-20-
InChIKeyVLXFTKHPENAIGS-MRCUWXFGSA-N
MW361.43 g/mol
LogP4.28
Rot. Bonds4

About 5-phenyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide

5-phenyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide (PubChem CID 43943258) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 5-phenyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide
PubChem CID43943258
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name5-phenyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide
SMILESC=CCn1/c(=N/C(=O)c2cc(-c3ccccc3)on2)sc2ccccc21
InChIInChI=1S/C20H15N3O2S/c1-2-12-23-16-10-6-7-11-18(16)26-20(23)21-19(24)15-13-17(25-22-15)14-8-4-3-5-9-14/h2-11,13H,1,12H2/b21-20-
InChIKeyVLXFTKHPENAIGS-MRCUWXFGSA-N
XLogP4.28
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43943231
N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide
CID 3524164
N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43945980
4-ethylsulfonyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7553235
4-propan-2-ylsulfonyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41148907
N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3380936
N-(6-bromo-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide
CID 3381093
N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,5-dimethylpyrazole-3-carboxamide
CID 16952412
N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4151119
4-piperidin-1-ylsulfonyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4574668
N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)quinoxaline-2-carboxamide
CID 43980464
N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide
CID 41016413

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide (CID 43943258) is 5-phenyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide is C=CCn1/c(=N/C(=O)c2cc(-c3ccccc3)on2)sc2ccccc21.
What is the InChIKey of 5-phenyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide?
The InChIKey is VLXFTKHPENAIGS-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-2-12-23-16-10-6-7-11-18(16)26-20(23)21-19(24)15-13-17(25-22-15)14-8-4-3-5-9-14/h2-11,13H,1,12H2/b21-20-.
What are the key properties of 5-phenyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide?
5-phenyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 43943258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).