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

C11H19N3O2S — CID 79379584

IUPAC2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1sc(N)nc1C
InChIInChI=1S/C11H19N3O2S/c1-5-14(6-11(3,4)16)9(15)8-7(2)13-10(12)17-8/h16H,5-6H2,1-4H3,(H2,12,13)
InChIKeyFHKYZTZTSLWVQH-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.27
Rot. Bonds4

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

2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 79379584) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID79379584
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1sc(N)nc1C
InChIInChI=1S/C11H19N3O2S/c1-5-14(6-11(3,4)16)9(15)8-7(2)13-10(12)17-8/h16H,5-6H2,1-4H3,(H2,12,13)
InChIKeyFHKYZTZTSLWVQH-UHFFFAOYSA-N
XLogP1.27
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 79379584) is 2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide is CCN(CC(C)(C)O)C(=O)c1sc(N)nc1C.
What is the InChIKey of 2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is FHKYZTZTSLWVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-5-14(6-11(3,4)16)9(15)8-7(2)13-10(12)17-8/h16H,5-6H2,1-4H3,(H2,12,13).
What are the key properties of 2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 257.36 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 79379584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).