1-(2-methoxyethyl)-N-(1-oxothian-4-yl)pyrazol-4-amine

C11H19N3O2S — CID 54981333

IUPAC1-(2-methoxyethyl)-N-(1-oxothian-4-yl)pyrazol-4-amine
SMILESCOCCn1cc(NC2CCS(=O)CC2)cn1
InChIInChI=1S/C11H19N3O2S/c1-16-5-4-14-9-11(8-12-14)13-10-2-6-17(15)7-3-10/h8-10,13H,2-7H2,1H3
InChIKeyXUSPQAJMYCNCAU-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.85
Rot. Bonds5

About 1-(2-methoxyethyl)-N-(1-oxothian-4-yl)pyrazol-4-amine

1-(2-methoxyethyl)-N-(1-oxothian-4-yl)pyrazol-4-amine (PubChem CID 54981333) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(1-oxothian-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(1-oxothian-4-yl)pyrazol-4-amine
PubChem CID54981333
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-(2-methoxyethyl)-N-(1-oxothian-4-yl)pyrazol-4-amine
SMILESCOCCn1cc(NC2CCS(=O)CC2)cn1
InChIInChI=1S/C11H19N3O2S/c1-16-5-4-14-9-11(8-12-14)13-10-2-6-17(15)7-3-10/h8-10,13H,2-7H2,1H3
InChIKeyXUSPQAJMYCNCAU-UHFFFAOYSA-N
XLogP0.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxyethyl)-N-(1-oxothian-4-yl)pyrazol-4-amine 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

N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidin-4-amine
CID 61017064
1-(2-methoxyethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine
CID 43728958
N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729152
3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrrolidine-2,5-dione
CID 54962543
N-[3-(2-bromophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729140
2-(cyclopentylamino)-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide
CID 54928520
1-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 43728903
N-[3-(3-fluorophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729131
4-cyclopropyl-1-(2-methoxyethyl)pyrazole
CID 170573805
1-(2-methoxyethyl)-N-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine
CID 107235162
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclohexane-1-carboxamide
CID 64824534
(2S,4S)-4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpyrrolidine-2-carboxamide
CID 128979339

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(1-oxothian-4-yl)pyrazol-4-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-(1-oxothian-4-yl)pyrazol-4-amine (CID 54981333) is 1-(2-methoxyethyl)-N-(1-oxothian-4-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(1-oxothian-4-yl)pyrazol-4-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-(1-oxothian-4-yl)pyrazol-4-amine is COCCn1cc(NC2CCS(=O)CC2)cn1.
What is the InChIKey of 1-(2-methoxyethyl)-N-(1-oxothian-4-yl)pyrazol-4-amine?
The InChIKey is XUSPQAJMYCNCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-16-5-4-14-9-11(8-12-14)13-10-2-6-17(15)7-3-10/h8-10,13H,2-7H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-N-(1-oxothian-4-yl)pyrazol-4-amine?
1-(2-methoxyethyl)-N-(1-oxothian-4-yl)pyrazol-4-amine has a molecular weight of 257.36 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(1-oxothian-4-yl)pyrazol-4-amine is sourced from PubChem (CID 54981333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).