N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2-ethylpyrazole-3-carboxamide

C19H16N4O2S — CID 135899920

IUPACN-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1
InChIInChI=1S/C19H16N4O2S/c1-2-23-15(9-10-20-23)18(25)21-12-7-8-16(24)13(11-12)19-22-14-5-3-4-6-17(14)26-19/h3-11,24H,2H2,1H3,(H,21,25)
InChIKeyMIJZOGLSIXLGJU-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.14
Rot. Bonds4

About N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2-ethylpyrazole-3-carboxamide

N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2-ethylpyrazole-3-carboxamide (PubChem CID 135899920) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2-ethylpyrazole-3-carboxamide
PubChem CID135899920
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1
InChIInChI=1S/C19H16N4O2S/c1-2-23-15(9-10-20-23)18(25)21-12-7-8-16(24)13(11-12)19-22-14-5-3-4-6-17(14)26-19/h3-11,24H,2H2,1H3,(H,21,25)
InChIKeyMIJZOGLSIXLGJU-UHFFFAOYSA-N
XLogP4.14
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2-ethylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2-ethylpyrazole-3-carboxamide (CID 135899920) is N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2-ethylpyrazole-3-carboxamide?
The InChIKey is MIJZOGLSIXLGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-2-23-15(9-10-20-23)18(25)21-12-7-8-16(24)13(11-12)19-22-14-5-3-4-6-17(14)26-19/h3-11,24H,2H2,1H3,(H,21,25).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2-ethylpyrazole-3-carboxamide?
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 135899920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).