2-(2-aminoethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide

C11H20N4O3S2 — CID 120628142

IUPAC2-(2-aminoethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)NS(=O)(=O)CCNC(=O)c1csc(CCN)n1
InChIInChI=1S/C11H20N4O3S2/c1-8(2)15-20(17,18)6-5-13-11(16)9-7-19-10(14-9)3-4-12/h7-8,15H,3-6,12H2,1-2H3,(H,13,16)
InChIKeyCEZLNYAASOTZHW-UHFFFAOYSA-N
MW320.44 g/mol
LogP-0.30
Rot. Bonds8

About 2-(2-aminoethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 120628142) has the molecular formula C11H20N4O3S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID120628142
Molecular FormulaC11H20N4O3S2
Molecular Weight320.44 g/mol
Exact Mass320.10
IUPAC Name2-(2-aminoethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)NS(=O)(=O)CCNC(=O)c1csc(CCN)n1
InChIInChI=1S/C11H20N4O3S2/c1-8(2)15-20(17,18)6-5-13-11(16)9-7-19-10(14-9)3-4-12/h7-8,15H,3-6,12H2,1-2H3,(H,13,16)
InChIKeyCEZLNYAASOTZHW-UHFFFAOYSA-N
XLogP-0.30
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-4-carboxamide
CID 106047628
methyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]propanoate
CID 66390867
methyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate
CID 120630215
2-(2-aminoethyl)-N-(5-hydroxy-4-methylpentyl)-1,3-thiazole-4-carboxamide
CID 106161222
2-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide
CID 66388359
2-(2-aminoethyl)-N-(2-methylsulfanylethyl)-1,3-thiazole-4-carboxamide
CID 66388986
2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66390920
2-(2-aminoethyl)-N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 120633185
2-(2-aminoethyl)-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66373431
methyl 6-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]hexanoate
CID 120617892
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide (CID 120628142) is 2-(2-aminoethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide is CC(C)NS(=O)(=O)CCNC(=O)c1csc(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CEZLNYAASOTZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S2/c1-8(2)15-20(17,18)6-5-13-11(16)9-7-19-10(14-9)3-4-12/h7-8,15H,3-6,12H2,1-2H3,(H,13,16).
What are the key properties of 2-(2-aminoethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of -0.30, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-(propan-2-ylsulfamoyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120628142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).