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

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Related Compounds

4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 61090653
4-amino-5-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-2-carboxamide
CID 113412359
4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 63982394
4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide
CID 64929974
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-methylthiophene-2-carboxamide
CID 62635362
2-bromo-5-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 113259150
4-bromo-1-ethyl-N-(2-thiomorpholin-4-ylethyl)pyrrole-2-carboxamide
CID 103659281
4-amino-N-(1,4-dithian-2-ylmethyl)-5-methylthiophene-2-carboxamide
CID 113489277
2-amino-6-ethyl-N-(2-thiomorpholin-4-ylethyl)pyridine-4-carboxamide
CID 106327147
4-amino-2-methoxy-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 106324512
5-(3-aminoprop-1-ynyl)-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide
CID 106326823
5-bromo-4-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 79965307

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).