4-amino-5-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide

C12H19N3OS2 — CID 114173699

IUPAC4-amino-5-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)NCCN2CCSCC2)cc1N
InChIInChI=1S/C12H19N3OS2/c1-9-10(13)8-11(18-9)12(16)14-2-3-15-4-6-17-7-5-15/h8H,2-7,13H2,1H3,(H,14,16)
InChIKeyIBURGOYDGXWSHO-UHFFFAOYSA-N
MW285.44 g/mol
LogP1.42
Rot. Bonds4

About 4-amino-5-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide

4-amino-5-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide (PubChem CID 114173699) has the molecular formula C12H19N3OS2 and a molecular weight of 285.44 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide
PubChem CID114173699
Molecular FormulaC12H19N3OS2
Molecular Weight285.44 g/mol
Exact Mass285.10
IUPAC Name4-amino-5-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)NCCN2CCSCC2)cc1N
InChIInChI=1S/C12H19N3OS2/c1-9-10(13)8-11(18-9)12(16)14-2-3-15-4-6-17-7-5-15/h8H,2-7,13H2,1H3,(H,14,16)
InChIKeyIBURGOYDGXWSHO-UHFFFAOYSA-N
XLogP1.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-5-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide 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 4-amino-5-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide (CID 114173699) is 4-amino-5-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide is Cc1sc(C(=O)NCCN2CCSCC2)cc1N.
What is the InChIKey of 4-amino-5-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide?
The InChIKey is IBURGOYDGXWSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS2/c1-9-10(13)8-11(18-9)12(16)14-2-3-15-4-6-17-7-5-15/h8H,2-7,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-5-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide?
4-amino-5-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide has a molecular weight of 285.44 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 114173699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).