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

C23H20N4O3S — CID 5207978

IUPACN-[[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide
SMILESC=CCn1c(O)c(C2=c3cc(C)ccc3=NC2=O)sc1=NNC(=O)Cc1ccccc1
InChIInChI=1S/C23H20N4O3S/c1-3-11-27-22(30)20(19-16-12-14(2)9-10-17(16)24-21(19)29)31-23(27)26-25-18(28)13-15-7-5-4-6-8-15/h3-10,12,30H,1,11,13H2,2H3,(H,25,28)
InChIKeyUDYJARDJOGADTC-UHFFFAOYSA-N
MW432.51 g/mol
LogP1.28
Rot. Bonds6

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

N-[[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide (PubChem CID 5207978) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-[[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide
PubChem CID5207978
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC NameN-[[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide
SMILESC=CCn1c(O)c(C2=c3cc(C)ccc3=NC2=O)sc1=NNC(=O)Cc1ccccc1
InChIInChI=1S/C23H20N4O3S/c1-3-11-27-22(30)20(19-16-12-14(2)9-10-17(16)24-21(19)29)31-23(27)26-25-18(28)13-15-7-5-4-6-8-15/h3-10,12,30H,1,11,13H2,2H3,(H,25,28)
InChIKeyUDYJARDJOGADTC-UHFFFAOYSA-N
XLogP1.28
TPSA96.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 51.28
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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Related Compounds

N-[(E)-[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide
CID 135770092
5-bromo-3-[4-hydroxy-2-(4-hydroxyphenyl)imino-3-prop-2-enyl-1,3-thiazol-5-yl]indol-2-one
CID 5117911
5-fluoro-3-(4-hydroxy-3-prop-2-enyl-2-sulfanylidene-1,3-thiazol-5-yl)indol-2-one
CID 1299188
3-[(2Z)-4-hydroxy-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-5-yl]indol-2-one
CID 137175197
3-(4-hydroxy-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-5-methylindol-2-one
CID 1271404
3-(3-benzyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)-5-chloroindol-2-one
CID 1360153
N-[4-hydroxy-5-(2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]-4-nitrobenzenesulfonamide
CID 2257612
methyl 6-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]hexanoate
CID 135827423
acetic acid;3-[4-hydroxy-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
CID 135691190
3-[[3-ethyl-5-(5-fluoro-2-oxoindol-3-yl)-4-hydroxy-1,3-thiazol-2-ylidene]amino]benzoic acid
CID 135711610
propyl 3-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]propanoate
CID 135597786
3-[(2E)-3-ethyl-4-hydroxy-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazol-5-yl]indol-2-one
CID 135711470

Frequently Asked Questions

What is the IUPAC name of N-[[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide?
The IUPAC name of N-[[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide (CID 5207978) is N-[[4-hydroxy-5-(5-methyl-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-(5-methyl-2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide?
The canonical SMILES for N-[[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide is C=CCn1c(O)c(C2=c3cc(C)ccc3=NC2=O)sc1=NNC(=O)Cc1ccccc1.
What is the InChIKey of N-[[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide?
The InChIKey is UDYJARDJOGADTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-3-11-27-22(30)20(19-16-12-14(2)9-10-17(16)24-21(19)29)31-23(27)26-25-18(28)13-15-7-5-4-6-8-15/h3-10,12,30H,1,11,13H2,2H3,(H,25,28).
What are the key properties of N-[[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide?
N-[[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide has a molecular weight of 432.51 g/mol, XLogP of 1.28, 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-(5-methyl-2-oxoindol-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-2-phenylacetamide is sourced from PubChem (CID 5207978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).