N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-2,2-dimethylpropanamide

C18H20N2OS — CID 5105360

IUPACN-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-2,2-dimethylpropanamide
SMILESCCn1/c(=N/C(=O)C(C)(C)C)sc2c3ccccc3ccc21
InChIInChI=1S/C18H20N2OS/c1-5-20-14-11-10-12-8-6-7-9-13(12)15(14)22-17(20)19-16(21)18(2,3)4/h6-11H,5H2,1-4H3/b19-17-
InChIKeyJVHJSFYZHLBVBM-ZPHPHTNESA-N
MW312.44 g/mol
LogP4.35
Rot. Bonds1

About N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-2,2-dimethylpropanamide

N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-2,2-dimethylpropanamide (PubChem CID 5105360) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-2,2-dimethylpropanamide
PubChem CID5105360
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC NameN-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-2,2-dimethylpropanamide
SMILESCCn1/c(=N/C(=O)C(C)(C)C)sc2c3ccccc3ccc21
InChIInChI=1S/C18H20N2OS/c1-5-20-14-11-10-12-8-6-7-9-13(12)15(14)22-17(20)19-16(21)18(2,3)4/h6-11H,5H2,1-4H3/b19-17-
InChIKeyJVHJSFYZHLBVBM-ZPHPHTNESA-N
XLogP4.35
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-2,2-dimethylpropanamide (CID 5105360) is N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-2,2-dimethylpropanamide is CCn1/c(=N/C(=O)C(C)(C)C)sc2c3ccccc3ccc21.
What is the InChIKey of N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-2,2-dimethylpropanamide?
The InChIKey is JVHJSFYZHLBVBM-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H20N2OS/c1-5-20-14-11-10-12-8-6-7-9-13(12)15(14)22-17(20)19-16(21)18(2,3)4/h6-11H,5H2,1-4H3/b19-17-.
What are the key properties of N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-2,2-dimethylpropanamide?
N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-2,2-dimethylpropanamide has a molecular weight of 312.44 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-2,2-dimethylpropanamide is sourced from PubChem (CID 5105360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).