N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-hydroxyphenyl)acetamide

C18H18N4O4S — CID 10110675

IUPACN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12
InChIInChI=1S/C18H18N4O4S/c23-14-5-2-12(3-6-14)10-17(24)19-18-15-11-13(4-7-16(15)20-21-18)22-8-1-9-27(22,25)26/h2-7,11,23H,1,8-10H2,(H2,19,20,21,24)
InChIKeyMEKQZIRNPYPHGO-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.99
Rot. Bonds4

About N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-hydroxyphenyl)acetamide

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-hydroxyphenyl)acetamide (PubChem CID 10110675) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-hydroxyphenyl)acetamide
PubChem CID10110675
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12
InChIInChI=1S/C18H18N4O4S/c23-14-5-2-12(3-6-14)10-17(24)19-18-15-11-13(4-7-16(15)20-21-18)22-8-1-9-27(22,25)26/h2-7,11,23H,1,8-10H2,(H2,19,20,21,24)
InChIKeyMEKQZIRNPYPHGO-UHFFFAOYSA-N
XLogP1.99
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-(1,1-Dioxidoisothiazolidin-2-YL)-1H-indazol-3-YL)-2-(4-piperidin-1-ylphenyl)acetamide
CID 10138993
N-[5-(1,1-dioxo-1lambda*6*-isothiazolidin-2-yl)-1H-indazol-3-yl]-2-phenyl-acetamide
CID 9951265
N-[5-(1,1-dioxo-1lambda*6*-isothiazolidin-2-yl)-1H-indazol-3-yl]-2-p-tolyl-acetamide
CID 10110571
Cdk inhibitor BAI
CID 10114553
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-fluorophenyl)acetamide
CID 10134861
2-(4-aminophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide
CID 10200092
N-[5-(1,1-dioxo-1lambda*6*-isothiazolidin-2-yl)-1H-indazol-3-yl]-2-m-tolyl-acetamide
CID 10221628
2-(4-diethylamino-phenyl)-N-[5-(1,1-dioxo-1lambda*6*-isothiazolidin-2-yl)-1H-indazol-3-yl]-acetamide
CID 10297090
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 44447912
2-[4-(dimethylamino)phenyl]-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide
CID 44447930
N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 137648978
5-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-1,3-dihydroindol-2-one
CID 139391861

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-hydroxyphenyl)acetamide (CID 10110675) is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-hydroxyphenyl)acetamide is O=C(Cc1ccc(O)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12.
What is the InChIKey of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is MEKQZIRNPYPHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c23-14-5-2-12(3-6-14)10-17(24)19-18-15-11-13(4-7-16(15)20-21-18)22-8-1-9-27(22,25)26/h2-7,11,23H,1,8-10H2,(H2,19,20,21,24).
What are the key properties of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-hydroxyphenyl)acetamide?
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 386.43 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 10110675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).