N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-phenyl-1,2-oxazole-3-carboxamide

C21H17N3O2S — CID 43943231

IUPACN-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC=CCn1/c(=N/C(=O)c2cc(-c3ccccc3)on2)sc2cc(C)ccc21
InChIInChI=1S/C21H17N3O2S/c1-3-11-24-17-10-9-14(2)12-19(17)27-21(24)22-20(25)16-13-18(26-23-16)15-7-5-4-6-8-15/h3-10,12-13H,1,11H2,2H3/b22-21-
InChIKeyNDIBQIPOLWORJQ-DQRAZIAOSA-N
MW375.45 g/mol
LogP4.59
Rot. Bonds4

About N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-phenyl-1,2-oxazole-3-carboxamide

N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 43943231) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID43943231
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC=CCn1/c(=N/C(=O)c2cc(-c3ccccc3)on2)sc2cc(C)ccc21
InChIInChI=1S/C21H17N3O2S/c1-3-11-24-17-10-9-14(2)12-19(17)27-21(24)22-20(25)16-13-18(26-23-16)15-7-5-4-6-8-15/h3-10,12-13H,1,11H2,2H3/b22-21-
InChIKeyNDIBQIPOLWORJQ-DQRAZIAOSA-N
XLogP4.59
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.59
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

5-phenyl-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide
CID 43943258
2-methyl-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)imidazo[1,2-a]pyridine-3-carboxamide
CID 43943238
N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 4295260
N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43945980
N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide
CID 30680337
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide
CID 3623281
N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,5-dimethylpyrazole-3-carboxamide
CID 16952412
N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-methylbenzamide
CID 3657348
N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3380936
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide
CID 4984113
2-cyclopentyl-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43942546
N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide
CID 41016385

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-phenyl-1,2-oxazole-3-carboxamide (CID 43943231) is N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-phenyl-1,2-oxazole-3-carboxamide is C=CCn1/c(=N/C(=O)c2cc(-c3ccccc3)on2)sc2cc(C)ccc21.
What is the InChIKey of N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is NDIBQIPOLWORJQ-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-3-11-24-17-10-9-14(2)12-19(17)27-21(24)22-20(25)16-13-18(26-23-16)15-7-5-4-6-8-15/h3-10,12-13H,1,11H2,2H3/b22-21-.
What are the key properties of N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 43943231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).