N-(5-methoxy-1-methylpyrazol-3-yl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine

C12H18N4OS — CID 114256131

IUPACN-(5-methoxy-1-methylpyrazol-3-yl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
SMILESCOc1cc(NC2=NC3(CCCC3)CS2)nn1C
InChIInChI=1S/C12H18N4OS/c1-16-10(17-2)7-9(15-16)13-11-14-12(8-18-11)5-3-4-6-12/h7H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyOUJDKUKIVGKSEA-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.26
Rot. Bonds2

About N-(5-methoxy-1-methylpyrazol-3-yl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine

N-(5-methoxy-1-methylpyrazol-3-yl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine (PubChem CID 114256131) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(5-methoxy-1-methylpyrazol-3-yl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine.

Molecular Properties

Compound NameN-(5-methoxy-1-methylpyrazol-3-yl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
PubChem CID114256131
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC NameN-(5-methoxy-1-methylpyrazol-3-yl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
SMILESCOc1cc(NC2=NC3(CCCC3)CS2)nn1C
InChIInChI=1S/C12H18N4OS/c1-16-10(17-2)7-9(15-16)13-11-14-12(8-18-11)5-3-4-6-12/h7H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyOUJDKUKIVGKSEA-UHFFFAOYSA-N
XLogP2.26
TPSA51.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-methoxy-1-methylpyrazol-3-yl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine 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-(5-methoxy-1-methylpyrazol-3-yl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
The IUPAC name of N-(5-methoxy-1-methylpyrazol-3-yl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine (CID 114256131) is N-(5-methoxy-1-methylpyrazol-3-yl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine.
What is the SMILES notation for N-(5-methoxy-1-methylpyrazol-3-yl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
The canonical SMILES for N-(5-methoxy-1-methylpyrazol-3-yl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine is COc1cc(NC2=NC3(CCCC3)CS2)nn1C.
What is the InChIKey of N-(5-methoxy-1-methylpyrazol-3-yl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
The InChIKey is OUJDKUKIVGKSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-16-10(17-2)7-9(15-16)13-11-14-12(8-18-11)5-3-4-6-12/h7H,3-6,8H2,1-2H3,(H,13,14,15).
What are the key properties of N-(5-methoxy-1-methylpyrazol-3-yl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine?
N-(5-methoxy-1-methylpyrazol-3-yl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine has a molecular weight of 266.37 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-1-methylpyrazol-3-yl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine is sourced from PubChem (CID 114256131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).