N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide

C19H17N5O5S — CID 46932981

IUPACN-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide
SMILESCOc1ccc(C2SCC(=O)N2NC(=O)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1
InChIInChI=1S/C19H17N5O5S/c1-29-15-5-2-12(3-6-15)19-23(18(26)11-30-19)21-17(25)10-22-16-7-4-14(24(27)28)8-13(16)9-20-22/h2-9,19H,10-11H2,1H3,(H,21,25)
InChIKeyZFBMCYCIMNCHEE-UHFFFAOYSA-N
MW427.44 g/mol
LogP2.26
Rot. Bonds6

About N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide

N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide (PubChem CID 46932981) has the molecular formula C19H17N5O5S and a molecular weight of 427.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide
PubChem CID46932981
Molecular FormulaC19H17N5O5S
Molecular Weight427.44 g/mol
Exact Mass427.10
IUPAC NameN-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide
SMILESCOc1ccc(C2SCC(=O)N2NC(=O)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1
InChIInChI=1S/C19H17N5O5S/c1-29-15-5-2-12(3-6-15)19-23(18(26)11-30-19)21-17(25)10-22-16-7-4-14(24(27)28)8-13(16)9-20-22/h2-9,19H,10-11H2,1H3,(H,21,25)
InChIKeyZFBMCYCIMNCHEE-UHFFFAOYSA-N
XLogP2.26
TPSA119.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide (CID 46932981) is N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide is COc1ccc(C2SCC(=O)N2NC(=O)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide?
The InChIKey is ZFBMCYCIMNCHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O5S/c1-29-15-5-2-12(3-6-15)19-23(18(26)11-30-19)21-17(25)10-22-16-7-4-14(24(27)28)8-13(16)9-20-22/h2-9,19H,10-11H2,1H3,(H,21,25).
What are the key properties of N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide?
N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide has a molecular weight of 427.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-nitroindazol-1-yl)acetamide is sourced from PubChem (CID 46932981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).