N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(3-methylphenoxy)acetamide

C18H16N2O4S — CID 43978526

IUPACN-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)/N=c2\sc3cc4c(cc3n2C)OCO4)c1
InChIInChI=1S/C18H16N2O4S/c1-11-4-3-5-12(6-11)22-9-17(21)19-18-20(2)13-7-14-15(24-10-23-14)8-16(13)25-18/h3-8H,9-10H2,1-2H3/b19-18-
InChIKeyLDCOJIVISGFITO-HNENSFHCSA-N
MW356.40 g/mol
LogP2.78
Rot. Bonds3

About N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(3-methylphenoxy)acetamide

N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(3-methylphenoxy)acetamide (PubChem CID 43978526) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(3-methylphenoxy)acetamide
PubChem CID43978526
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC NameN-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)/N=c2\sc3cc4c(cc3n2C)OCO4)c1
InChIInChI=1S/C18H16N2O4S/c1-11-4-3-5-12(6-11)22-9-17(21)19-18-20(2)13-7-14-15(24-10-23-14)8-16(13)25-18/h3-8H,9-10H2,1-2H3/b19-18-
InChIKeyLDCOJIVISGFITO-HNENSFHCSA-N
XLogP2.78
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methylphenoxy)-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide
CID 43943140
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 5121652
2-(4-ethoxyphenyl)-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide
CID 40700423
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-methoxyphenoxy)acetamide
CID 43978543
2-(4-methylphenoxy)-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43980196
2-(4-chlorophenoxy)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide
CID 7154030
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(2-methylphenoxy)acetamide
CID 43978573
2-naphthalen-2-yloxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43980192
N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 40509040
2-cyclopentyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide
CID 43978508
N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-[methyl(methylsulfonyl)amino]acetamide
CID 43978594
ethyl 2-[2-(2-phenoxyacetyl)imino-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-3-yl]acetate
CID 41006789

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(3-methylphenoxy)acetamide (CID 43978526) is N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)/N=c2\sc3cc4c(cc3n2C)OCO4)c1.
What is the InChIKey of N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(3-methylphenoxy)acetamide?
The InChIKey is LDCOJIVISGFITO-HNENSFHCSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-11-4-3-5-12(6-11)22-9-17(21)19-18-20(2)13-7-14-15(24-10-23-14)8-16(13)25-18/h3-8H,9-10H2,1-2H3/b19-18-.
What are the key properties of N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(3-methylphenoxy)acetamide?
N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(3-methylphenoxy)acetamide has a molecular weight of 356.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 43978526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).