2-(4-ethoxyphenyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide

C19H17N3O2S2 — CID 8719702

IUPAC2-(4-ethoxyphenyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2nc3ccc4sc(C)nc4c3s2)cc1
InChIInChI=1S/C19H17N3O2S2/c1-3-24-13-6-4-12(5-7-13)10-16(23)22-19-21-14-8-9-15-17(18(14)26-19)20-11(2)25-15/h4-9H,3,10H2,1-2H3,(H,21,22,23)
InChIKeyDEDTUKJUCCCEAS-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.79
Rot. Bonds5

About 2-(4-ethoxyphenyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide

2-(4-ethoxyphenyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide (PubChem CID 8719702) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide
PubChem CID8719702
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC Name2-(4-ethoxyphenyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2nc3ccc4sc(C)nc4c3s2)cc1
InChIInChI=1S/C19H17N3O2S2/c1-3-24-13-6-4-12(5-7-13)10-16(23)22-19-21-14-8-9-15-17(18(14)26-19)20-11(2)25-15/h4-9H,3,10H2,1-2H3,(H,21,22,23)
InChIKeyDEDTUKJUCCCEAS-UHFFFAOYSA-N
XLogP4.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethoxyphenyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide
CID 8719724
2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 8719441
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)acetamide
CID 8719990
2-(4-ethoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 16938538
4-(4-methoxyphenyl)sulfonyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)butanamide
CID 18585877
2-(4-methoxyphenoxy)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide
CID 90601713
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8719026
1-(3,5-dimethylphenyl)-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea
CID 121080529
1-[2-(dimethylamino)ethyl]-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea
CID 71549283
3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 19226041
1-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-3-(naphthalen-1-ylmethyl)urea
CID 121080536
2-(1,3-benzodioxol-5-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 41107512

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide (CID 8719702) is 2-(4-ethoxyphenyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide is CCOc1ccc(CC(=O)Nc2nc3ccc4sc(C)nc4c3s2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide?
The InChIKey is DEDTUKJUCCCEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c1-3-24-13-6-4-12(5-7-13)10-16(23)22-19-21-14-8-9-15-17(18(14)26-19)20-11(2)25-15/h4-9H,3,10H2,1-2H3,(H,21,22,23).
What are the key properties of 2-(4-ethoxyphenyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide?
2-(4-ethoxyphenyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide has a molecular weight of 383.50 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)acetamide is sourced from PubChem (CID 8719702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).