2-(1,3-benzodioxol-5-ylimino)-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

C20H13N3O4S — CID 53334818

IUPAC2-(1,3-benzodioxol-5-ylimino)-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1ccc2c(c1)OCO2
InChIInChI=1S/C20H13N3O4S/c24-18(23-20-21-7-8-28-20)14-9-12-3-1-2-4-15(12)27-19(14)22-13-5-6-16-17(10-13)26-11-25-16/h1-10H,11H2,(H,21,23,24)/b22-19-
InChIKeyZDCQSDRJKOGSPE-QOCHGBHMSA-N
MW391.41 g/mol
LogP4.10
Rot. Bonds3

About 2-(1,3-benzodioxol-5-ylimino)-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

2-(1,3-benzodioxol-5-ylimino)-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 53334818) has the molecular formula C20H13N3O4S and a molecular weight of 391.41 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylimino)-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylimino)-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
PubChem CID53334818
Molecular FormulaC20H13N3O4S
Molecular Weight391.41 g/mol
Exact Mass391.06
IUPAC Name2-(1,3-benzodioxol-5-ylimino)-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1ccc2c(c1)OCO2
InChIInChI=1S/C20H13N3O4S/c24-18(23-20-21-7-8-28-20)14-9-12-3-1-2-4-15(12)27-19(14)22-13-5-6-16-17(10-13)26-11-25-16/h1-10H,11H2,(H,21,23,24)/b22-19-
InChIKeyZDCQSDRJKOGSPE-QOCHGBHMSA-N
XLogP4.10
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylimino)-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylimino)-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 53334818) is 2-(1,3-benzodioxol-5-ylimino)-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylimino)-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylimino)-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylimino)-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The InChIKey is ZDCQSDRJKOGSPE-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H13N3O4S/c24-18(23-20-21-7-8-28-20)14-9-12-3-1-2-4-15(12)27-19(14)22-13-5-6-16-17(10-13)26-11-25-16/h1-10H,11H2,(H,21,23,24)/b22-19-.
What are the key properties of 2-(1,3-benzodioxol-5-ylimino)-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
2-(1,3-benzodioxol-5-ylimino)-N-(1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 391.41 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylimino)-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 53334818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).