N-(3-ethyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide

C14H18N2OS — CID 2104856

IUPACN-(3-ethyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide
SMILESCCn1/c(=N/C(=O)C(C)(C)C)sc2ccccc21
InChIInChI=1S/C14H18N2OS/c1-5-16-10-8-6-7-9-11(10)18-13(16)15-12(17)14(2,3)4/h6-9H,5H2,1-4H3/b15-13-
InChIKeyZMZOBQRWTXHTJM-SQFISAMPSA-N
MW262.38 g/mol
LogP3.20
Rot. Bonds1

About N-(3-ethyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide

N-(3-ethyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide (PubChem CID 2104856) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(3-ethyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-ethyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide
PubChem CID2104856
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-(3-ethyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide
SMILESCCn1/c(=N/C(=O)C(C)(C)C)sc2ccccc21
InChIInChI=1S/C14H18N2OS/c1-5-16-10-8-6-7-9-11(10)18-13(16)15-12(17)14(2,3)4/h6-9H,5H2,1-4H3/b15-13-
InChIKeyZMZOBQRWTXHTJM-SQFISAMPSA-N
XLogP3.20
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-2,2-dimethylpropanamide
CID 5105360
methyl 4-[(3-ethyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 4638674
N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 4064574
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide
CID 4051224
N-[3-(3,3-dimethyl-2-oxobutyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 4525917
N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide
CID 4106571
N-(3-ethyl-1,3-benzothiazol-2-ylidene)-3-pentoxybenzamide
CID 3572098
4-(benzenesulfonamido)-N-(3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121043683
N-[3-(2-oxopropyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 540636
5-chloro-N-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
CID 4293731
4-[butyl(methyl)sulfamoyl]-N-(3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2152728
N-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-piperidin-1-ylethyl)sulfonylacetamide
CID 4113158

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-ethyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide (CID 2104856) is N-(3-ethyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-ethyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-ethyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide is CCn1/c(=N/C(=O)C(C)(C)C)sc2ccccc21.
What is the InChIKey of N-(3-ethyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide?
The InChIKey is ZMZOBQRWTXHTJM-SQFISAMPSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-5-16-10-8-6-7-9-11(10)18-13(16)15-12(17)14(2,3)4/h6-9H,5H2,1-4H3/b15-13-.
What are the key properties of N-(3-ethyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide?
N-(3-ethyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide has a molecular weight of 262.38 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide is sourced from PubChem (CID 2104856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).