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

C18H18N2OS — CID 7942632

IUPAC2-(3,4-dimethylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCc1ccc(CC(=O)/N=c2\sc3ccccc3n2C)cc1C
InChIInChI=1S/C18H18N2OS/c1-12-8-9-14(10-13(12)2)11-17(21)19-18-20(3)15-6-4-5-7-16(15)22-18/h4-10H,11H2,1-3H3/b19-18-
InChIKeyUUOGXOUEELJSSA-HNENSFHCSA-N
MW310.42 g/mol
LogP3.53
Rot. Bonds2

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

2-(3,4-dimethylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 7942632) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID7942632
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name2-(3,4-dimethylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCc1ccc(CC(=O)/N=c2\sc3ccccc3n2C)cc1C
InChIInChI=1S/C18H18N2OS/c1-12-8-9-14(10-13(12)2)11-17(21)19-18-20(3)15-6-4-5-7-16(15)22-18/h4-10H,11H2,1-3H3/b19-18-
InChIKeyUUOGXOUEELJSSA-HNENSFHCSA-N
XLogP3.53
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-3-methylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 16848042
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-2-ylacetamide
CID 16849298
2-(3,4-dimethylphenyl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
CID 7928815
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 40694545
methyl 2-[2-[2-(4-methoxy-3-methylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate
CID 16848341
2-(3,4-dimethylphenyl)-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41342810
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 4857459
N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 40509023
2-(4-methoxy-3-methylphenyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 16848262
2-(3,4-dimethoxyphenyl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 16912805
2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41107950
2-(benzenesulfonyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 18573226

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide (CID 7942632) is 2-(3,4-dimethylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide is Cc1ccc(CC(=O)/N=c2\sc3ccccc3n2C)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is UUOGXOUEELJSSA-HNENSFHCSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-12-8-9-14(10-13(12)2)11-17(21)19-18-20(3)15-6-4-5-7-16(15)22-18/h4-10H,11H2,1-3H3/b19-18-.
What are the key properties of 2-(3,4-dimethylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
2-(3,4-dimethylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 310.42 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 7942632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).