4-[(5-methoxy-1,3-benzothiazol-2-yl)diazenyl]-1H-pyrazole-3,5-diamine

C11H11N7OS — CID 135744066

IUPAC4-[(5-methoxy-1,3-benzothiazol-2-yl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESCOc1ccc2sc(/N=N/c3c(N)n[nH]c3N)nc2c1
InChIInChI=1S/C11H11N7OS/c1-19-5-2-3-7-6(4-5)14-11(20-7)18-15-8-9(12)16-17-10(8)13/h2-4H,1H3,(H5,12,13,16,17)/b18-15+
InChIKeyDWDUWFVCFKCTLD-OBGWFSINSA-N
MW289.32 g/mol
LogP2.61
Rot. Bonds3

About 4-[(5-methoxy-1,3-benzothiazol-2-yl)diazenyl]-1H-pyrazole-3,5-diamine

4-[(5-methoxy-1,3-benzothiazol-2-yl)diazenyl]-1H-pyrazole-3,5-diamine (PubChem CID 135744066) has the molecular formula C11H11N7OS and a molecular weight of 289.32 g/mol. Its IUPAC name is 4-[(5-methoxy-1,3-benzothiazol-2-yl)diazenyl]-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-[(5-methoxy-1,3-benzothiazol-2-yl)diazenyl]-1H-pyrazole-3,5-diamine
PubChem CID135744066
Molecular FormulaC11H11N7OS
Molecular Weight289.32 g/mol
Exact Mass289.07
IUPAC Name4-[(5-methoxy-1,3-benzothiazol-2-yl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESCOc1ccc2sc(/N=N/c3c(N)n[nH]c3N)nc2c1
InChIInChI=1S/C11H11N7OS/c1-19-5-2-3-7-6(4-5)14-11(20-7)18-15-8-9(12)16-17-10(8)13/h2-4H,1H3,(H5,12,13,16,17)/b18-15+
InChIKeyDWDUWFVCFKCTLD-OBGWFSINSA-N
XLogP2.61
TPSA127.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-[(5-methoxy-1,3-benzothiazol-2-yl)diazenyl]-1H-pyrazole-3,5-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-[(3-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 1494746
4-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine
CID 66767985
4-[(2,6-dimethoxy-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 135744090
ethane;5-methoxy-2-methyl-1,3-benzothiazole
CID 142881099
1-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-2-ol
CID 2311776
3-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-6-(1,3-thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-2,5,7-triamine
CID 136738264
5-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine
CID 79511841
2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 84628462
CID 158604119
CID 158604119
5-methoxy-1,3-benzothiazole-2-carboxylic acid
CID 45077357
5-methoxy-2-[5-(5-methoxy-1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 86116798
5-(5-methoxy-1-benzothiophen-2-yl)-1H-pyrazol-3-amine
CID 115109988

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxy-1,3-benzothiazol-2-yl)diazenyl]-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-[(5-methoxy-1,3-benzothiazol-2-yl)diazenyl]-1H-pyrazole-3,5-diamine (CID 135744066) is 4-[(5-methoxy-1,3-benzothiazol-2-yl)diazenyl]-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-[(5-methoxy-1,3-benzothiazol-2-yl)diazenyl]-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-[(5-methoxy-1,3-benzothiazol-2-yl)diazenyl]-1H-pyrazole-3,5-diamine is COc1ccc2sc(/N=N/c3c(N)n[nH]c3N)nc2c1.
What is the InChIKey of 4-[(5-methoxy-1,3-benzothiazol-2-yl)diazenyl]-1H-pyrazole-3,5-diamine?
The InChIKey is DWDUWFVCFKCTLD-OBGWFSINSA-N. The full InChI is InChI=1S/C11H11N7OS/c1-19-5-2-3-7-6(4-5)14-11(20-7)18-15-8-9(12)16-17-10(8)13/h2-4H,1H3,(H5,12,13,16,17)/b18-15+.
What are the key properties of 4-[(5-methoxy-1,3-benzothiazol-2-yl)diazenyl]-1H-pyrazole-3,5-diamine?
4-[(5-methoxy-1,3-benzothiazol-2-yl)diazenyl]-1H-pyrazole-3,5-diamine has a molecular weight of 289.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxy-1,3-benzothiazol-2-yl)diazenyl]-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 135744066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).