2-(aminomethyl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide

C11H14N4O3S3 — CID 119698675

IUPAC2-(aminomethyl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)c2csc(CN)n2)s1
InChIInChI=1S/C11H14N4O3S3/c1-13-21(17,18)10-3-2-7(20-10)5-14-11(16)8-6-19-9(4-12)15-8/h2-3,6,13H,4-5,12H2,1H3,(H,14,16)
InChIKeyJWRJYTXISPUOFV-UHFFFAOYSA-N
MW346.46 g/mol
LogP0.50
Rot. Bonds6

About 2-(aminomethyl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 119698675) has the molecular formula C11H14N4O3S3 and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID119698675
Molecular FormulaC11H14N4O3S3
Molecular Weight346.46 g/mol
Exact Mass346.02
IUPAC Name2-(aminomethyl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)c2csc(CN)n2)s1
InChIInChI=1S/C11H14N4O3S3/c1-13-21(17,18)10-3-2-7(20-10)5-14-11(16)8-6-19-9(4-12)15-8/h2-3,6,13H,4-5,12H2,1H3,(H,14,16)
InChIKeyJWRJYTXISPUOFV-UHFFFAOYSA-N
XLogP0.50
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66377859
N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide
CID 47152750
2-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 47445414
2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66376144
2-(aminomethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66377414
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
2-(aminomethyl)-N-ethylsulfonyl-1,3-thiazole-4-carboxamide
CID 103307161
2-(aminomethyl)-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66378027
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 66380424
2-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66378252
2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide
CID 66375745
2-(aminomethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66380048

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide (CID 119698675) is 2-(aminomethyl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide is CNS(=O)(=O)c1ccc(CNC(=O)c2csc(CN)n2)s1.
What is the InChIKey of 2-(aminomethyl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JWRJYTXISPUOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S3/c1-13-21(17,18)10-3-2-7(20-10)5-14-11(16)8-6-19-9(4-12)15-8/h2-3,6,13H,4-5,12H2,1H3,(H,14,16).
What are the key properties of 2-(aminomethyl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119698675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).