2-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]-1,3-thiazole-4-carboxamide

C15H20N4O4S2 — CID 119797765

IUPAC2-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1csc(CN)n1
InChIInChI=1S/C15H20N4O4S2/c1-4-23-13-6-5-10(25(21,22)19(2)3)7-11(13)18-15(20)12-9-24-14(8-16)17-12/h5-7,9H,4,8,16H2,1-3H3,(H,18,20)
InChIKeyKGNJFKUSDVJRPT-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.50
Rot. Bonds7

About 2-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]-1,3-thiazole-4-carboxamide (PubChem CID 119797765) has the molecular formula C15H20N4O4S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]-1,3-thiazole-4-carboxamide
PubChem CID119797765
Molecular FormulaC15H20N4O4S2
Molecular Weight384.48 g/mol
Exact Mass384.09
IUPAC Name2-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1csc(CN)n1
InChIInChI=1S/C15H20N4O4S2/c1-4-23-13-6-5-10(25(21,22)19(2)3)7-11(13)18-15(20)12-9-24-14(8-16)17-12/h5-7,9H,4,8,16H2,1-3H3,(H,18,20)
InChIKeyKGNJFKUSDVJRPT-UHFFFAOYSA-N
XLogP1.50
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(aminomethyl)-N-(2-ethoxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 119774063
4-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]benzamide
CID 119331638
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24672146
2-(2-aminoethyl)-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616687
2-(aminomethyl)-N-(4-ethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119739998
2-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1,3-thiazole-4-carboxamide
CID 55433666
2-(aminomethyl)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119741182
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 4877827
2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66378221
2-(aminomethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide
CID 119679447
3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591093
2-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 66377445

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]-1,3-thiazole-4-carboxamide (CID 119797765) is 2-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]-1,3-thiazole-4-carboxamide is CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KGNJFKUSDVJRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S2/c1-4-23-13-6-5-10(25(21,22)19(2)3)7-11(13)18-15(20)12-9-24-14(8-16)17-12/h5-7,9H,4,8,16H2,1-3H3,(H,18,20).
What are the key properties of 2-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119797765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).