2-(2-anilino-1,3-thiazol-4-yl)-N-(1,3-benzodioxol-5-yl)acetamide

C18H15N3O3S — CID 27377729

IUPAC2-(2-anilino-1,3-thiazol-4-yl)-N-(1,3-benzodioxol-5-yl)acetamide
SMILESO=C(Cc1csc(Nc2ccccc2)n1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H15N3O3S/c22-17(19-13-6-7-15-16(8-13)24-11-23-15)9-14-10-25-18(21-14)20-12-4-2-1-3-5-12/h1-8,10H,9,11H2,(H,19,22)(H,20,21)
InChIKeyZGVINEWMAQAOGS-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.80
Rot. Bonds5

About 2-(2-anilino-1,3-thiazol-4-yl)-N-(1,3-benzodioxol-5-yl)acetamide

2-(2-anilino-1,3-thiazol-4-yl)-N-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 27377729) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-(2-anilino-1,3-thiazol-4-yl)-N-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-anilino-1,3-thiazol-4-yl)-N-(1,3-benzodioxol-5-yl)acetamide
PubChem CID27377729
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name2-(2-anilino-1,3-thiazol-4-yl)-N-(1,3-benzodioxol-5-yl)acetamide
SMILESO=C(Cc1csc(Nc2ccccc2)n1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H15N3O3S/c22-17(19-13-6-7-15-16(8-13)24-11-23-15)9-14-10-25-18(21-14)20-12-4-2-1-3-5-12/h1-8,10H,9,11H2,(H,19,22)(H,20,21)
InChIKeyZGVINEWMAQAOGS-UHFFFAOYSA-N
XLogP3.80
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-1,3-thiazol-4-yl)-N-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-(2-anilino-1,3-thiazol-4-yl)-N-(1,3-benzodioxol-5-yl)acetamide (CID 27377729) is 2-(2-anilino-1,3-thiazol-4-yl)-N-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-(2-anilino-1,3-thiazol-4-yl)-N-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-(2-anilino-1,3-thiazol-4-yl)-N-(1,3-benzodioxol-5-yl)acetamide is O=C(Cc1csc(Nc2ccccc2)n1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(2-anilino-1,3-thiazol-4-yl)-N-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is ZGVINEWMAQAOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c22-17(19-13-6-7-15-16(8-13)24-11-23-15)9-14-10-25-18(21-14)20-12-4-2-1-3-5-12/h1-8,10H,9,11H2,(H,19,22)(H,20,21).
What are the key properties of 2-(2-anilino-1,3-thiazol-4-yl)-N-(1,3-benzodioxol-5-yl)acetamide?
2-(2-anilino-1,3-thiazol-4-yl)-N-(1,3-benzodioxol-5-yl)acetamide has a molecular weight of 353.40 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-1,3-thiazol-4-yl)-N-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 27377729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).