2,4-dimethyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide

C21H18N2OS — CID 4111919

IUPAC2,4-dimethyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
SMILESCc1ccc(C(=O)/N=c2\sc3c4ccccc4ccc3n2C)c(C)c1
InChIInChI=1S/C21H18N2OS/c1-13-8-10-16(14(2)12-13)20(24)22-21-23(3)18-11-9-15-6-4-5-7-17(15)19(18)25-21/h4-12H,1-3H3/b22-21-
InChIKeyMVBSVBPGXCZKNH-DQRAZIAOSA-N
MW346.46 g/mol
LogP4.75
Rot. Bonds1

About 2,4-dimethyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide

2,4-dimethyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide (PubChem CID 4111919) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 2,4-dimethyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
PubChem CID4111919
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC Name2,4-dimethyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
SMILESCc1ccc(C(=O)/N=c2\sc3c4ccccc4ccc3n2C)c(C)c1
InChIInChI=1S/C21H18N2OS/c1-13-8-10-16(14(2)12-13)20(24)22-21-23(3)18-11-9-15-6-4-5-7-17(15)19(18)25-21/h4-12H,1-3H3/b22-21-
InChIKeyMVBSVBPGXCZKNH-DQRAZIAOSA-N
XLogP4.75
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885536
N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 3244694
2,6-difluoro-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 4259218
methyl 2-[2-(2,5-dimethylbenzoyl)iminobenzo[g][1,3]benzothiazol-3-yl]acetate
CID 41235017
N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)cyclopropanecarboxamide
CID 4285892
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
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide
CID 40885538
N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 43938845
2-(4-methoxy-3-methylphenyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 16848262
(E)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenylprop-2-enamide
CID 7109194
ethyl 2-[2-(2-methoxybenzoyl)iminobenzo[g][1,3]benzothiazol-3-yl]acetate
CID 42387750

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide?
The IUPAC name of 2,4-dimethyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide (CID 4111919) is 2,4-dimethyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 2,4-dimethyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 2,4-dimethyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide is Cc1ccc(C(=O)/N=c2\sc3c4ccccc4ccc3n2C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide?
The InChIKey is MVBSVBPGXCZKNH-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H18N2OS/c1-13-8-10-16(14(2)12-13)20(24)22-21-23(3)18-11-9-15-6-4-5-7-17(15)19(18)25-21/h4-12H,1-3H3/b22-21-.
What are the key properties of 2,4-dimethyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide?
2,4-dimethyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide has a molecular weight of 346.46 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 4111919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).