3-[2-(4-cyano-3-methyl-1,2-thiazol-5-yl)hydrazinyl]-2-hydroxy-N-phenylnaphthalene-1-carboxamide

C22H17N5O2S — CID 143952314

IUPAC3-[2-(4-cyano-3-methyl-1,2-thiazol-5-yl)hydrazinyl]-2-hydroxy-N-phenylnaphthalene-1-carboxamide
SMILESCc1nsc(NNc2cc3ccccc3c(C(=O)Nc3ccccc3)c2O)c1C#N
InChIInChI=1S/C22H17N5O2S/c1-13-17(12-23)22(30-27-13)26-25-18-11-14-7-5-6-10-16(14)19(20(18)28)21(29)24-15-8-3-2-4-9-15/h2-11,25-26,28H,1H3,(H,24,29)
InChIKeyGZSWKSAUUHCZQT-UHFFFAOYSA-N
MW415.48 g/mol
LogP4.87
Rot. Bonds5

About 3-[2-(4-cyano-3-methyl-1,2-thiazol-5-yl)hydrazinyl]-2-hydroxy-N-phenylnaphthalene-1-carboxamide

3-[2-(4-cyano-3-methyl-1,2-thiazol-5-yl)hydrazinyl]-2-hydroxy-N-phenylnaphthalene-1-carboxamide (PubChem CID 143952314) has the molecular formula C22H17N5O2S and a molecular weight of 415.48 g/mol. Its IUPAC name is 3-[2-(4-cyano-3-methyl-1,2-thiazol-5-yl)hydrazinyl]-2-hydroxy-N-phenylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name3-[2-(4-cyano-3-methyl-1,2-thiazol-5-yl)hydrazinyl]-2-hydroxy-N-phenylnaphthalene-1-carboxamide
PubChem CID143952314
Molecular FormulaC22H17N5O2S
Molecular Weight415.48 g/mol
Exact Mass415.11
IUPAC Name3-[2-(4-cyano-3-methyl-1,2-thiazol-5-yl)hydrazinyl]-2-hydroxy-N-phenylnaphthalene-1-carboxamide
SMILESCc1nsc(NNc2cc3ccccc3c(C(=O)Nc3ccccc3)c2O)c1C#N
InChIInChI=1S/C22H17N5O2S/c1-13-17(12-23)22(30-27-13)26-25-18-11-14-7-5-6-10-16(14)19(20(18)28)21(29)24-15-8-3-2-4-9-15/h2-11,25-26,28H,1H3,(H,24,29)
InChIKeyGZSWKSAUUHCZQT-UHFFFAOYSA-N
XLogP4.87
TPSA110.07 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 54.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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 3-[2-(4-cyano-3-methyl-1,2-thiazol-5-yl)hydrazinyl]-2-hydroxy-N-phenylnaphthalene-1-carboxamide?
The IUPAC name of 3-[2-(4-cyano-3-methyl-1,2-thiazol-5-yl)hydrazinyl]-2-hydroxy-N-phenylnaphthalene-1-carboxamide (CID 143952314) is 3-[2-(4-cyano-3-methyl-1,2-thiazol-5-yl)hydrazinyl]-2-hydroxy-N-phenylnaphthalene-1-carboxamide.
What is the SMILES notation for 3-[2-(4-cyano-3-methyl-1,2-thiazol-5-yl)hydrazinyl]-2-hydroxy-N-phenylnaphthalene-1-carboxamide?
The canonical SMILES for 3-[2-(4-cyano-3-methyl-1,2-thiazol-5-yl)hydrazinyl]-2-hydroxy-N-phenylnaphthalene-1-carboxamide is Cc1nsc(NNc2cc3ccccc3c(C(=O)Nc3ccccc3)c2O)c1C#N.
What is the InChIKey of 3-[2-(4-cyano-3-methyl-1,2-thiazol-5-yl)hydrazinyl]-2-hydroxy-N-phenylnaphthalene-1-carboxamide?
The InChIKey is GZSWKSAUUHCZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2S/c1-13-17(12-23)22(30-27-13)26-25-18-11-14-7-5-6-10-16(14)19(20(18)28)21(29)24-15-8-3-2-4-9-15/h2-11,25-26,28H,1H3,(H,24,29).
What are the key properties of 3-[2-(4-cyano-3-methyl-1,2-thiazol-5-yl)hydrazinyl]-2-hydroxy-N-phenylnaphthalene-1-carboxamide?
3-[2-(4-cyano-3-methyl-1,2-thiazol-5-yl)hydrazinyl]-2-hydroxy-N-phenylnaphthalene-1-carboxamide has a molecular weight of 415.48 g/mol, XLogP of 4.87, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-cyano-3-methyl-1,2-thiazol-5-yl)hydrazinyl]-2-hydroxy-N-phenylnaphthalene-1-carboxamide is sourced from PubChem (CID 143952314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).