4-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine

C12H12N4OS — CID 79518693

IUPAC4-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine
SMILESCCOc1ccc2nc(-c3cn[nH]c3N)sc2c1
InChIInChI=1S/C12H12N4OS/c1-2-17-7-3-4-9-10(5-7)18-12(15-9)8-6-14-16-11(8)13/h3-6H,2H2,1H3,(H3,13,14,16)
InChIKeyBLLPRHIINWCLIC-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.67
Rot. Bonds3

About 4-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine

4-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine (PubChem CID 79518693) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine
PubChem CID79518693
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name4-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine
SMILESCCOc1ccc2nc(-c3cn[nH]c3N)sc2c1
InChIInChI=1S/C12H12N4OS/c1-2-17-7-3-4-9-10(5-7)18-12(15-9)8-6-14-16-11(8)13/h3-6H,2H2,1H3,(H3,13,14,16)
InChIKeyBLLPRHIINWCLIC-UHFFFAOYSA-N
XLogP2.67
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrazole_amino_B(1)', 'substructure': 'N/A'}

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Related Compounds

2-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylaniline
CID 79511111
2-amino-6-(6-ethoxy-1,3-benzothiazol-2-yl)phenol
CID 136712634
4-(6-ethoxy-1,3-benzothiazol-2-yl)pyridin-2-amine
CID 79519060
4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 60650136
2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 113308023
2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole
CID 146253203
1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine
CID 79511739
6-ethoxy-2-[(6-ethoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 22748454
3-(6-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106663
4-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazol-5-amine
CID 117332699
2-amino-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol
CID 79518172
2-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine
CID 116796248

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine (CID 79518693) is 4-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine is CCOc1ccc2nc(-c3cn[nH]c3N)sc2c1.
What is the InChIKey of 4-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine?
The InChIKey is BLLPRHIINWCLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-2-17-7-3-4-9-10(5-7)18-12(15-9)8-6-14-16-11(8)13/h3-6H,2H2,1H3,(H3,13,14,16).
What are the key properties of 4-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine?
4-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine has a molecular weight of 260.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 79518693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).