2-methylsulfanyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

C18H18N2OS2 — CID 40951787

IUPAC2-methylsulfanyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCSc1ccccc1C(=O)/N=c1\sc2ccc(C)c(C)c2n1C
InChIInChI=1S/C18H18N2OS2/c1-11-9-10-15-16(12(11)2)20(3)18(23-15)19-17(21)13-7-5-6-8-14(13)22-4/h5-10H,1-4H3/b19-18-
InChIKeyOXTQBOBXOHSVQS-HNENSFHCSA-N
MW342.49 g/mol
LogP4.32
Rot. Bonds2

About 2-methylsulfanyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

2-methylsulfanyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 40951787) has the molecular formula C18H18N2OS2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID40951787
Molecular FormulaC18H18N2OS2
Molecular Weight342.49 g/mol
Exact Mass342.09
IUPAC Name2-methylsulfanyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCSc1ccccc1C(=O)/N=c1\sc2ccc(C)c(C)c2n1C
InChIInChI=1S/C18H18N2OS2/c1-11-9-10-15-16(12(11)2)20(3)18(23-15)19-17(21)13-7-5-6-8-14(13)22-4/h5-10H,1-4H3/b19-18-
InChIKeyOXTQBOBXOHSVQS-HNENSFHCSA-N
XLogP4.32
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5001748
2-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7553153
4-fluoro-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3345967
N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide
CID 40694900
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide
CID 40509793
2,5-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 16848905
3-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide
CID 16879982
4-ethylsulfonyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7553228
3,4-dimethoxy-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3474147
ethyl 3-methyl-2-(2-methylsulfanylbenzoyl)imino-1,3-benzothiazole-6-carboxylate
CID 40694898
2-fluoro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2151133
4-[methyl(phenyl)sulfamoyl]-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2152779

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 2-methylsulfanyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 40951787) is 2-methylsulfanyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 2-methylsulfanyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is CSc1ccccc1C(=O)/N=c1\sc2ccc(C)c(C)c2n1C.
What is the InChIKey of 2-methylsulfanyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is OXTQBOBXOHSVQS-HNENSFHCSA-N. The full InChI is InChI=1S/C18H18N2OS2/c1-11-9-10-15-16(12(11)2)20(3)18(23-15)19-17(21)13-7-5-6-8-14(13)22-4/h5-10H,1-4H3/b19-18-.
What are the key properties of 2-methylsulfanyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
2-methylsulfanyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 342.49 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 40951787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).