2-amino-N-[2-(ethylsulfamoyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

C9H16N4O3S2 — CID 104872462

IUPAC2-amino-N-[2-(ethylsulfamoyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCNS(=O)(=O)CCNC(=O)c1sc(N)nc1C
InChIInChI=1S/C9H16N4O3S2/c1-3-12-18(15,16)5-4-11-8(14)7-6(2)13-9(10)17-7/h12H,3-5H2,1-2H3,(H2,10,13)(H,11,14)
InChIKeyITKYXTMZEVOFSR-UHFFFAOYSA-N
MW292.39 g/mol
LogP-0.30
Rot. Bonds6

About 2-amino-N-[2-(ethylsulfamoyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-[2-(ethylsulfamoyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 104872462) has the molecular formula C9H16N4O3S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-amino-N-[2-(ethylsulfamoyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(ethylsulfamoyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID104872462
Molecular FormulaC9H16N4O3S2
Molecular Weight292.39 g/mol
Exact Mass292.07
IUPAC Name2-amino-N-[2-(ethylsulfamoyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCNS(=O)(=O)CCNC(=O)c1sc(N)nc1C
InChIInChI=1S/C9H16N4O3S2/c1-3-12-18(15,16)5-4-11-8(14)7-6(2)13-9(10)17-7/h12H,3-5H2,1-2H3,(H2,10,13)(H,11,14)
InChIKeyITKYXTMZEVOFSR-UHFFFAOYSA-N
XLogP-0.30
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 106343628
2-amino-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794778
4-amino-N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 106343623
2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 64910587
4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybutanoic acid
CID 107836028
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 65106677
2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 62794600
6-amino-3-chloro-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide
CID 106342640
2-amino-N-[2-(4-chlorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55116242
2-amino-4-methyl-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 104872441
(2S)-3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxypropanoic acid
CID 107835738

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(ethylsulfamoyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[2-(ethylsulfamoyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 104872462) is 2-amino-N-[2-(ethylsulfamoyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(ethylsulfamoyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[2-(ethylsulfamoyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is CCNS(=O)(=O)CCNC(=O)c1sc(N)nc1C.
What is the InChIKey of 2-amino-N-[2-(ethylsulfamoyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ITKYXTMZEVOFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S2/c1-3-12-18(15,16)5-4-11-8(14)7-6(2)13-9(10)17-7/h12H,3-5H2,1-2H3,(H2,10,13)(H,11,14).
What are the key properties of 2-amino-N-[2-(ethylsulfamoyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-[2-(ethylsulfamoyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 292.39 g/mol, XLogP of -0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(ethylsulfamoyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 104872462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).