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

C14H12N2OS — CID 3244694

IUPACN-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
SMILESCC(=O)/N=c1\sc2c3ccccc3ccc2n1C
InChIInChI=1S/C14H12N2OS/c1-9(17)15-14-16(2)12-8-7-10-5-3-4-6-11(10)13(12)18-14/h3-8H,1-2H3/b15-14-
InChIKeyMVROKIPEAPFIHC-PFONDFGASA-N
MW256.33 g/mol
LogP2.84
Rot. Bonds

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

N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide (PubChem CID 3244694) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound NameN-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
PubChem CID3244694
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC NameN-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
SMILESCC(=O)/N=c1\sc2c3ccccc3ccc2n1C
InChIInChI=1S/C14H12N2OS/c1-9(17)15-14-16(2)12-8-7-10-5-3-4-6-11(10)13(12)18-14/h3-8H,1-2H3/b15-14-
InChIKeyMVROKIPEAPFIHC-PFONDFGASA-N
XLogP2.84
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)cyclopropanecarboxamide
CID 4285892
N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]acetamide
CID 7152869
2,6-difluoro-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 4259218
(E)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenylprop-2-enamide
CID 7109194
2,4-dimethyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 4111919
4-(benzenesulfonyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)butanamide
CID 25406798
3-ethylsulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 40697545
N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 5111081
2-(2,4-dichlorophenoxy)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 3262118
N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-3-(4-nitrophenyl)prop-2-enamide
CID 4624489
2-(4-methoxy-3-methylphenyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 16848262
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 41057046

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide?
The IUPAC name of N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide (CID 3244694) is N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide?
The canonical SMILES for N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide is CC(=O)/N=c1\sc2c3ccccc3ccc2n1C.
What is the InChIKey of N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide?
The InChIKey is MVROKIPEAPFIHC-PFONDFGASA-N. The full InChI is InChI=1S/C14H12N2OS/c1-9(17)15-14-16(2)12-8-7-10-5-3-4-6-11(10)13(12)18-14/h3-8H,1-2H3/b15-14-.
What are the key properties of N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide?
N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide has a molecular weight of 256.33 g/mol, XLogP of 2.84, 0 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)acetamide is sourced from PubChem (CID 3244694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).