N-[[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide

C22H18N4O3S — CID 5207977

IUPACN-[[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide
SMILESC=CCn1c(O)c(C2=c3ccccc3=NC2=O)sc1=NNC(=O)Cc1ccccc1
InChIInChI=1S/C22H18N4O3S/c1-2-12-26-21(29)19(18-15-10-6-7-11-16(15)23-20(18)28)30-22(26)25-24-17(27)13-14-8-4-3-5-9-14/h2-11,29H,1,12-13H2,(H,24,27)
InChIKeyKAOKVEWETJZUIZ-UHFFFAOYSA-N
MW418.48 g/mol
LogP0.97
Rot. Bonds6

About N-[[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide

N-[[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide (PubChem CID 5207977) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-[[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide
PubChem CID5207977
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC NameN-[[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide
SMILESC=CCn1c(O)c(C2=c3ccccc3=NC2=O)sc1=NNC(=O)Cc1ccccc1
InChIInChI=1S/C22H18N4O3S/c1-2-12-26-21(29)19(18-15-10-6-7-11-16(15)23-20(18)28)30-22(26)25-24-17(27)13-14-8-4-3-5-9-14/h2-11,29H,1,12-13H2,(H,24,27)
InChIKeyKAOKVEWETJZUIZ-UHFFFAOYSA-N
XLogP0.97
TPSA96.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide?
The IUPAC name of N-[[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide (CID 5207977) is N-[[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide.
What is the SMILES notation for N-[[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide?
The canonical SMILES for N-[[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide is C=CCn1c(O)c(C2=c3ccccc3=NC2=O)sc1=NNC(=O)Cc1ccccc1.
What is the InChIKey of N-[[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide?
The InChIKey is KAOKVEWETJZUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c1-2-12-26-21(29)19(18-15-10-6-7-11-16(15)23-20(18)28)30-22(26)25-24-17(27)13-14-8-4-3-5-9-14/h2-11,29H,1,12-13H2,(H,24,27).
What are the key properties of N-[[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide?
N-[[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide has a molecular weight of 418.48 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide is sourced from PubChem (CID 5207977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).