2-(aminomethyl)-N-(2-thiomorpholin-4-ylsulfonylethyl)-1,3-thiazole-4-carboxamide

C11H18N4O3S3 — CID 119777069

IUPAC2-(aminomethyl)-N-(2-thiomorpholin-4-ylsulfonylethyl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NCCS(=O)(=O)N2CCSCC2)cs1
InChIInChI=1S/C11H18N4O3S3/c12-7-10-14-9(8-20-10)11(16)13-1-6-21(17,18)15-2-4-19-5-3-15/h8H,1-7,12H2,(H,13,16)
InChIKeyLPMGZTUNDQDJCB-UHFFFAOYSA-N
MW350.49 g/mol
LogP-0.29
Rot. Bonds6

About 2-(aminomethyl)-N-(2-thiomorpholin-4-ylsulfonylethyl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(2-thiomorpholin-4-ylsulfonylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 119777069) has the molecular formula C11H18N4O3S3 and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-thiomorpholin-4-ylsulfonylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-thiomorpholin-4-ylsulfonylethyl)-1,3-thiazole-4-carboxamide
PubChem CID119777069
Molecular FormulaC11H18N4O3S3
Molecular Weight350.49 g/mol
Exact Mass350.05
IUPAC Name2-(aminomethyl)-N-(2-thiomorpholin-4-ylsulfonylethyl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NCCS(=O)(=O)N2CCSCC2)cs1
InChIInChI=1S/C11H18N4O3S3/c12-7-10-14-9(8-20-10)11(16)13-1-6-21(17,18)15-2-4-19-5-3-15/h8H,1-7,12H2,(H,13,16)
InChIKeyLPMGZTUNDQDJCB-UHFFFAOYSA-N
XLogP-0.29
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
2-(aminomethyl)-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119782557
2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide
CID 66375745
2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 83109262
2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119763190
2-(aminomethyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119851279
2-(aminomethyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119841026
2-fluoro-N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide
CID 56782902
(2R)-2-amino-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide;hydrochloride
CID 119319777
2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 66377889
2-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119687938
1-[2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]ethyl]triazole-4-carboxylic acid
CID 107500024

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-thiomorpholin-4-ylsulfonylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-thiomorpholin-4-ylsulfonylethyl)-1,3-thiazole-4-carboxamide (CID 119777069) is 2-(aminomethyl)-N-(2-thiomorpholin-4-ylsulfonylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-thiomorpholin-4-ylsulfonylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-thiomorpholin-4-ylsulfonylethyl)-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)NCCS(=O)(=O)N2CCSCC2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-(2-thiomorpholin-4-ylsulfonylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LPMGZTUNDQDJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S3/c12-7-10-14-9(8-20-10)11(16)13-1-6-21(17,18)15-2-4-19-5-3-15/h8H,1-7,12H2,(H,13,16).
What are the key properties of 2-(aminomethyl)-N-(2-thiomorpholin-4-ylsulfonylethyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(2-thiomorpholin-4-ylsulfonylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 350.49 g/mol, XLogP of -0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-thiomorpholin-4-ylsulfonylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119777069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).