2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide

C11H19N3O2S — CID 65106677

IUPAC2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1sc(N)nc1C
InChIInChI=1S/C11H19N3O2S/c1-4-11(16,5-2)6-13-9(15)8-7(3)14-10(12)17-8/h16H,4-6H2,1-3H3,(H2,12,14)(H,13,15)
InChIKeyBPOSZEYSMZSTEW-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.31
Rot. Bonds5

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

2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 65106677) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID65106677
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1sc(N)nc1C
InChIInChI=1S/C11H19N3O2S/c1-4-11(16,5-2)6-13-9(15)8-7(3)14-10(12)17-8/h16H,4-6H2,1-3H3,(H2,12,14)(H,13,15)
InChIKeyBPOSZEYSMZSTEW-UHFFFAOYSA-N
XLogP1.31
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 62794600
N-(2-amino-2-ethylbutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 113265867
2-amino-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794778
2-amino-N-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 66168708
(2S)-3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxypropanoic acid
CID 107835738
2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 64910587
2-amino-N-[2-(ethylsulfamoyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 104872462
2-amino-N-(2-amino-2-oxoethoxy)-4-methyl-1,3-thiazole-5-carboxamide
CID 112674174
4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybutanoic acid
CID 107836028
3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 64702479
2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79379584

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 65106677) is 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide is CCC(O)(CC)CNC(=O)c1sc(N)nc1C.
What is the InChIKey of 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is BPOSZEYSMZSTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-11(16,5-2)6-13-9(15)8-7(3)14-10(12)17-8/h16H,4-6H2,1-3H3,(H2,12,14)(H,13,15).
What are the key properties of 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 257.36 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 65106677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).