4-(4-ethoxyanilino)-5-(2-oxoindol-3-yl)-3H-1,3-thiazol-2-one

C19H15N3O3S — CID 1182673

IUPAC4-(4-ethoxyanilino)-5-(2-oxoindol-3-yl)-3H-1,3-thiazol-2-one
SMILESCCOc1ccc(Nc2[nH]c(=O)sc2C2=c3ccccc3=NC2=O)cc1
InChIInChI=1S/C19H15N3O3S/c1-2-25-12-9-7-11(8-10-12)20-17-16(26-19(24)22-17)15-13-5-3-4-6-14(13)21-18(15)23/h3-10,20H,2H2,1H3,(H,22,24)
InChIKeyDXHYVCBKPKDOPJ-UHFFFAOYSA-N
MW365.41 g/mol
LogP1.94
Rot. Bonds5

About 4-(4-ethoxyanilino)-5-(2-oxoindol-3-yl)-3H-1,3-thiazol-2-one

4-(4-ethoxyanilino)-5-(2-oxoindol-3-yl)-3H-1,3-thiazol-2-one (PubChem CID 1182673) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is 4-(4-ethoxyanilino)-5-(2-oxoindol-3-yl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(4-ethoxyanilino)-5-(2-oxoindol-3-yl)-3H-1,3-thiazol-2-one
PubChem CID1182673
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name4-(4-ethoxyanilino)-5-(2-oxoindol-3-yl)-3H-1,3-thiazol-2-one
SMILESCCOc1ccc(Nc2[nH]c(=O)sc2C2=c3ccccc3=NC2=O)cc1
InChIInChI=1S/C19H15N3O3S/c1-2-25-12-9-7-11(8-10-12)20-17-16(26-19(24)22-17)15-13-5-3-4-6-14(13)21-18(15)23/h3-10,20H,2H2,1H3,(H,22,24)
InChIKeyDXHYVCBKPKDOPJ-UHFFFAOYSA-N
XLogP1.94
TPSA83.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyanilino)-5-(2-oxoindol-3-yl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(4-ethoxyanilino)-5-(2-oxoindol-3-yl)-3H-1,3-thiazol-2-one (CID 1182673) is 4-(4-ethoxyanilino)-5-(2-oxoindol-3-yl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(4-ethoxyanilino)-5-(2-oxoindol-3-yl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(4-ethoxyanilino)-5-(2-oxoindol-3-yl)-3H-1,3-thiazol-2-one is CCOc1ccc(Nc2[nH]c(=O)sc2C2=c3ccccc3=NC2=O)cc1.
What is the InChIKey of 4-(4-ethoxyanilino)-5-(2-oxoindol-3-yl)-3H-1,3-thiazol-2-one?
The InChIKey is DXHYVCBKPKDOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-2-25-12-9-7-11(8-10-12)20-17-16(26-19(24)22-17)15-13-5-3-4-6-14(13)21-18(15)23/h3-10,20H,2H2,1H3,(H,22,24).
What are the key properties of 4-(4-ethoxyanilino)-5-(2-oxoindol-3-yl)-3H-1,3-thiazol-2-one?
4-(4-ethoxyanilino)-5-(2-oxoindol-3-yl)-3H-1,3-thiazol-2-one has a molecular weight of 365.41 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyanilino)-5-(2-oxoindol-3-yl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 1182673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).