thiomorpholin-4-yl-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone

C12H13N3OS2 — CID 71824789

IUPACthiomorpholin-4-yl-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1-c1cccs1)N1CCSCC1
InChIInChI=1S/C12H13N3OS2/c16-12(15-3-6-17-7-4-15)9-8-13-14-11(9)10-2-1-5-18-10/h1-2,5,8H,3-4,6-7H2,(H,13,14)
InChIKeyPEMCGFVVDHMUOK-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.33
Rot. Bonds2

About thiomorpholin-4-yl-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone

thiomorpholin-4-yl-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone (PubChem CID 71824789) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is thiomorpholin-4-yl-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Namethiomorpholin-4-yl-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
PubChem CID71824789
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC Namethiomorpholin-4-yl-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1-c1cccs1)N1CCSCC1
InChIInChI=1S/C12H13N3OS2/c16-12(15-3-6-17-7-4-15)9-8-13-14-11(9)10-2-1-5-18-10/h1-2,5,8H,3-4,6-7H2,(H,13,14)
InChIKeyPEMCGFVVDHMUOK-UHFFFAOYSA-N
XLogP2.33
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze thiomorpholin-4-yl-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone 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 thiomorpholin-4-yl-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
The IUPAC name of thiomorpholin-4-yl-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone (CID 71824789) is thiomorpholin-4-yl-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for thiomorpholin-4-yl-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for thiomorpholin-4-yl-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1-c1cccs1)N1CCSCC1.
What is the InChIKey of thiomorpholin-4-yl-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
The InChIKey is PEMCGFVVDHMUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS2/c16-12(15-3-6-17-7-4-15)9-8-13-14-11(9)10-2-1-5-18-10/h1-2,5,8H,3-4,6-7H2,(H,13,14).
What are the key properties of thiomorpholin-4-yl-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone?
thiomorpholin-4-yl-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone has a molecular weight of 279.39 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiomorpholin-4-yl-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 71824789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).