2-(2,4-dimethylphenyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide

C20H22N2OS — CID 41019313

IUPAC2-(2,4-dimethylphenyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCc1ccc(CC(=O)/N=c2\sc3c(C)ccc(C)c3n2C)c(C)c1
InChIInChI=1S/C20H22N2OS/c1-12-6-9-16(15(4)10-12)11-17(23)21-20-22(5)18-13(2)7-8-14(3)19(18)24-20/h6-10H,11H2,1-5H3/b21-20-
InChIKeyGUSKXVUZRUCUDZ-MRCUWXFGSA-N
MW338.48 g/mol
LogP4.14
Rot. Bonds2

About 2-(2,4-dimethylphenyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide

2-(2,4-dimethylphenyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 41019313) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID41019313
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name2-(2,4-dimethylphenyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCc1ccc(CC(=O)/N=c2\sc3c(C)ccc(C)c3n2C)c(C)c1
InChIInChI=1S/C20H22N2OS/c1-12-6-9-16(15(4)10-12)11-17(23)21-20-22(5)18-13(2)7-8-14(3)19(18)24-20/h6-10H,11H2,1-5H3/b21-20-
InChIKeyGUSKXVUZRUCUDZ-MRCUWXFGSA-N
XLogP4.14
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dimethylphenyl)acetamide
CID 40697863
N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide
CID 16913074
2-naphthalen-1-yl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 40885394
2,5-dimethyl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885528
2-(2,4-dimethylphenyl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 42524680
2-(2,4-dimethylphenyl)-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)acetamide
CID 41019358
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide
CID 40885538
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide
CID 16913075
2-(2-methoxy-5-methylphenyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 16912970
2-(2,4-dimethylphenyl)-N-[3-(2-ethoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]acetamide
CID 42524685
2,5-dichloro-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885241
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)acetamide
CID 41126782

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide (CID 41019313) is 2-(2,4-dimethylphenyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide is Cc1ccc(CC(=O)/N=c2\sc3c(C)ccc(C)c3n2C)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is GUSKXVUZRUCUDZ-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-12-6-9-16(15(4)10-12)11-17(23)21-20-22(5)18-13(2)7-8-14(3)19(18)24-20/h6-10H,11H2,1-5H3/b21-20-.
What are the key properties of 2-(2,4-dimethylphenyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide?
2-(2,4-dimethylphenyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 338.48 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 41019313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).