2-(1,3-benzodioxol-5-yl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide

C19H18N2O3S — CID 41107793

IUPAC2-(1,3-benzodioxol-5-yl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCc1cc(C)c2c(c1)s/c(=N\C(=O)Cc1ccc3c(c1)OCO3)n2C
InChIInChI=1S/C19H18N2O3S/c1-11-6-12(2)18-16(7-11)25-19(21(18)3)20-17(22)9-13-4-5-14-15(8-13)24-10-23-14/h4-8H,9-10H2,1-3H3/b20-19-
InChIKeyLXUYQTXADHOOMI-VXPUYCOJSA-N
MW354.43 g/mol
LogP3.26
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide

2-(1,3-benzodioxol-5-yl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 41107793) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID41107793
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCc1cc(C)c2c(c1)s/c(=N\C(=O)Cc1ccc3c(c1)OCO3)n2C
InChIInChI=1S/C19H18N2O3S/c1-11-6-12(2)18-16(7-11)25-19(21(18)3)20-17(22)9-13-4-5-14-15(8-13)24-10-23-14/h4-8H,9-10H2,1-3H3/b20-19-
InChIKeyLXUYQTXADHOOMI-VXPUYCOJSA-N
XLogP3.26
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41107950
ethyl 2-[2-(1,3-benzodioxol-5-yl)acetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate
CID 41107961
2-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)propanamide
CID 4145691
2-(1,3-dioxoisoindol-2-yl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 4592901
2-(1,3-benzodioxol-5-yl)-N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41108015
2-(1,3-benzodioxol-5-yl)-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41108111
2-(4-ethoxyphenyl)-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide
CID 40700423
2-(3,4-dimethylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7942632
5-methyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-3-carboxamide
CID 16953837
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2-(4-methoxyphenyl)acetamide
CID 40700280
methyl 2-[2-(1,3-benzodioxol-5-yl)acetyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate
CID 41108087
2-(1,3-benzodioxol-5-yl)-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide
CID 16852079

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide (CID 41107793) is 2-(1,3-benzodioxol-5-yl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide is Cc1cc(C)c2c(c1)s/c(=N\C(=O)Cc1ccc3c(c1)OCO3)n2C.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is LXUYQTXADHOOMI-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-11-6-12(2)18-16(7-11)25-19(21(18)3)20-17(22)9-13-4-5-14-15(8-13)24-10-23-14/h4-8H,9-10H2,1-3H3/b20-19-.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide?
2-(1,3-benzodioxol-5-yl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 354.43 g/mol, XLogP of 3.26, 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-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 41107793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).