N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)cyclopropanecarboxamide

C16H14N2OS — CID 4285892

IUPACN-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)cyclopropanecarboxamide
SMILESCn1/c(=N/C(=O)C2CC2)sc2c3ccccc3ccc21
InChIInChI=1S/C16H14N2OS/c1-18-13-9-8-10-4-2-3-5-12(10)14(13)20-16(18)17-15(19)11-6-7-11/h2-5,8-9,11H,6-7H2,1H3/b17-16-
InChIKeyDXSVNSWAAJKGCQ-MSUUIHNZSA-N
MW282.37 g/mol
LogP3.23
Rot. Bonds1

About N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)cyclopropanecarboxamide

N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)cyclopropanecarboxamide (PubChem CID 4285892) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)cyclopropanecarboxamide
PubChem CID4285892
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)cyclopropanecarboxamide
SMILESCn1/c(=N/C(=O)C2CC2)sc2c3ccccc3ccc21
InChIInChI=1S/C16H14N2OS/c1-18-13-9-8-10-4-2-3-5-12(10)14(13)20-16(18)17-15(19)11-6-7-11/h2-5,8-9,11H,6-7H2,1H3/b17-16-
InChIKeyDXSVNSWAAJKGCQ-MSUUIHNZSA-N
XLogP3.23
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 3244694
1-(4-methoxyphenyl)sulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)piperidine-4-carboxamide
CID 42523374
2,6-difluoro-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 4259218
1-(4-chlorophenyl)sulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)pyrrolidine-2-carboxamide
CID 16924721
(E)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenylprop-2-enamide
CID 7109194
N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 5111081
2,4-dimethyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 4111919
2-(4-methoxy-3-methylphenyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 16848262
4-(benzenesulfonyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)butanamide
CID 25406798
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 41057046
3-ethylsulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 40697545
N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-2,2-dimethylpropanamide
CID 5105360

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)cyclopropanecarboxamide?
The IUPAC name of N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)cyclopropanecarboxamide (CID 4285892) is N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)cyclopropanecarboxamide.
What is the SMILES notation for N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)cyclopropanecarboxamide?
The canonical SMILES for N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)cyclopropanecarboxamide is Cn1/c(=N/C(=O)C2CC2)sc2c3ccccc3ccc21.
What is the InChIKey of N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)cyclopropanecarboxamide?
The InChIKey is DXSVNSWAAJKGCQ-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-18-13-9-8-10-4-2-3-5-12(10)14(13)20-16(18)17-15(19)11-6-7-11/h2-5,8-9,11H,6-7H2,1H3/b17-16-.
What are the key properties of N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)cyclopropanecarboxamide?
N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)cyclopropanecarboxamide has a molecular weight of 282.37 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)cyclopropanecarboxamide is sourced from PubChem (CID 4285892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).