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

C18H18N2O2S — CID 16848042

IUPAC2-(4-methoxy-3-methylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCOc1ccc(CC(=O)/N=c2\sc3ccccc3n2C)cc1C
InChIInChI=1S/C18H18N2O2S/c1-12-10-13(8-9-15(12)22-3)11-17(21)19-18-20(2)14-6-4-5-7-16(14)23-18/h4-10H,11H2,1-3H3/b19-18-
InChIKeyKRSOPNKJSPRYEL-HNENSFHCSA-N
MW326.42 g/mol
LogP3.23
Rot. Bonds3

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

2-(4-methoxy-3-methylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 16848042) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID16848042
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name2-(4-methoxy-3-methylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCOc1ccc(CC(=O)/N=c2\sc3ccccc3n2C)cc1C
InChIInChI=1S/C18H18N2O2S/c1-12-10-13(8-9-15(12)22-3)11-17(21)19-18-20(2)14-6-4-5-7-16(14)23-18/h4-10H,11H2,1-3H3/b19-18-
InChIKeyKRSOPNKJSPRYEL-HNENSFHCSA-N
XLogP3.23
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7942632
methyl 2-[2-[2-(4-methoxy-3-methylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate
CID 16848341
2-(4-methoxy-3-methylphenyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 16848262
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-2-ylacetamide
CID 16849298
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 4857459
2-(3,4-dimethoxyphenyl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 16912805
N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848266
N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 40509023
N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848405
2-(3,4-dimethoxyphenyl)-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide
CID 16912752
2-(3,4-dimethylphenyl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
CID 7928815
N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848378

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide (CID 16848042) is 2-(4-methoxy-3-methylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide is COc1ccc(CC(=O)/N=c2\sc3ccccc3n2C)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is KRSOPNKJSPRYEL-HNENSFHCSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-12-10-13(8-9-15(12)22-3)11-17(21)19-18-20(2)14-6-4-5-7-16(14)23-18/h4-10H,11H2,1-3H3/b19-18-.
What are the key properties of 2-(4-methoxy-3-methylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
2-(4-methoxy-3-methylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 326.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 16848042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).