2,2-dimethyl-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide

C16H20N2OS — CID 7152776

IUPAC2,2-dimethyl-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESC=CCn1/c(=N/C(=O)C(C)(C)C)sc2cccc(C)c21
InChIInChI=1S/C16H20N2OS/c1-6-10-18-13-11(2)8-7-9-12(13)20-15(18)17-14(19)16(3,4)5/h6-9H,1,10H2,2-5H3/b17-15-
InChIKeyQOUWWSKSTLFLTF-ICFOKQHNSA-N
MW288.42 g/mol
LogP3.67
Rot. Bonds2

About 2,2-dimethyl-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide

2,2-dimethyl-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide (PubChem CID 7152776) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide
PubChem CID7152776
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2,2-dimethyl-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESC=CCn1/c(=N/C(=O)C(C)(C)C)sc2cccc(C)c21
InChIInChI=1S/C16H20N2OS/c1-6-10-18-13-11(2)8-7-9-12(13)20-15(18)17-14(19)16(3,4)5/h6-9H,1,10H2,2-5H3/b17-15-
InChIKeyQOUWWSKSTLFLTF-ICFOKQHNSA-N
XLogP3.67
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide
CID 43943680
2-(2,5-dihydroxypyrrol-1-yl)-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 123982903
3,4,5-triethoxy-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43944497
4-(dibutylsulfamoyl)-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43944536
4-[benzyl(ethyl)sulfamoyl]-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43944566
2-iodo-N-(4-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43944458
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide
CID 4051224
N,N'-bis(4-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)decanediamide
CID 43944761
N-(3-ethyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide
CID 2104856
N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2,2-dimethylpropanamide
CID 4062411
3-bromo-N-(5-chloro-4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43943712
N-(4-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide
CID 2151210

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide?
The IUPAC name of 2,2-dimethyl-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide (CID 7152776) is 2,2-dimethyl-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide is C=CCn1/c(=N/C(=O)C(C)(C)C)sc2cccc(C)c21.
What is the InChIKey of 2,2-dimethyl-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide?
The InChIKey is QOUWWSKSTLFLTF-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-6-10-18-13-11(2)8-7-9-12(13)20-15(18)17-14(19)16(3,4)5/h6-9H,1,10H2,2-5H3/b17-15-.
What are the key properties of 2,2-dimethyl-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide?
2,2-dimethyl-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide has a molecular weight of 288.42 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)propanamide is sourced from PubChem (CID 7152776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).