N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide

C22H18N2OS — CID 4984113

IUPACN-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide
SMILESCc1ccc2c(c1)s/c(=N\C(=O)c1ccc(-c3ccccc3)cc1)n2C
InChIInChI=1S/C22H18N2OS/c1-15-8-13-19-20(14-15)26-22(24(19)2)23-21(25)18-11-9-17(10-12-18)16-6-4-3-5-7-16/h3-14H,1-2H3/b23-22-
InChIKeyUFFHENFOAQYFDU-FCQUAONHSA-N
MW358.47 g/mol
LogP4.96
Rot. Bonds2

About N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide

N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide (PubChem CID 4984113) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide
PubChem CID4984113
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC NameN-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide
SMILESCc1ccc2c(c1)s/c(=N\C(=O)c1ccc(-c3ccccc3)cc1)n2C
InChIInChI=1S/C22H18N2OS/c1-15-8-13-19-20(14-15)26-22(24(19)2)23-21(25)18-11-9-17(10-12-18)16-6-4-3-5-7-16/h3-14H,1-2H3/b23-22-
InChIKeyUFFHENFOAQYFDU-FCQUAONHSA-N
XLogP4.96
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2330376
N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide
CID 30680337
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide
CID 3623281
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 4154286
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-pentoxybenzamide
CID 3267822
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfonylbenzamide
CID 7553173
N-[(3,6-dimethyl-1,3-benzothiazol-2-ylidene)carbamothioyl]-4-methylbenzamide
CID 5173622
3-chloro-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide
CID 4199690
5-bromo-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 5103794
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 5121652
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylbenzamide
CID 40996459
4-benzyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43979722

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide?
The IUPAC name of N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide (CID 4984113) is N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide.
What is the SMILES notation for N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide?
The canonical SMILES for N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide is Cc1ccc2c(c1)s/c(=N\C(=O)c1ccc(-c3ccccc3)cc1)n2C.
What is the InChIKey of N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide?
The InChIKey is UFFHENFOAQYFDU-FCQUAONHSA-N. The full InChI is InChI=1S/C22H18N2OS/c1-15-8-13-19-20(14-15)26-22(24(19)2)23-21(25)18-11-9-17(10-12-18)16-6-4-3-5-7-16/h3-14H,1-2H3/b23-22-.
What are the key properties of N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide?
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide has a molecular weight of 358.47 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide is sourced from PubChem (CID 4984113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).