2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)acetamide

C18H16N2O3S — CID 41107950

IUPAC2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCc1cccc2s/c(=N\C(=O)Cc3ccc4c(c3)OCO4)n(C)c12
InChIInChI=1S/C18H16N2O3S/c1-11-4-3-5-15-17(11)20(2)18(24-15)19-16(21)9-12-6-7-13-14(8-12)23-10-22-13/h3-8H,9-10H2,1-2H3/b19-18-
InChIKeyAAWYWPHMBMQIEC-HNENSFHCSA-N
MW340.40 g/mol
LogP2.95
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)acetamide

2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 41107950) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID41107950
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCc1cccc2s/c(=N\C(=O)Cc3ccc4c(c3)OCO4)n(C)c12
InChIInChI=1S/C18H16N2O3S/c1-11-4-3-5-15-17(11)20(2)18(24-15)19-16(21)9-12-6-7-13-14(8-12)23-10-22-13/h3-8H,9-10H2,1-2H3/b19-18-
InChIKeyAAWYWPHMBMQIEC-HNENSFHCSA-N
XLogP2.95
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41107793
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(4-methoxyphenyl)acetamide
CID 40700280
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 4626475
ethyl 2-[2-(1,3-benzodioxol-5-yl)acetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate
CID 41107961
2-(3,4-dimethylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7942632
(3S)-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7152452
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide
CID 42525114
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5224044
N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide
CID 16912526
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-5-methyl-1,2-oxazole-3-carboxamide
CID 16953844
2-(4-ethoxyphenyl)-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide
CID 40700423
N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
CID 41340076

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)acetamide (CID 41107950) is 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)acetamide is Cc1cccc2s/c(=N\C(=O)Cc3ccc4c(c3)OCO4)n(C)c12.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is AAWYWPHMBMQIEC-HNENSFHCSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-11-4-3-5-15-17(11)20(2)18(24-15)19-16(21)9-12-6-7-13-14(8-12)23-10-22-13/h3-8H,9-10H2,1-2H3/b19-18-.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)acetamide?
2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 340.40 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 41107950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).