N-(4-amino-2-methyl-4-oxobutan-2-yl)-1,3-thiazole-4-carboxamide

C9H13N3O2S — CID 86815112

IUPACN-(4-amino-2-methyl-4-oxobutan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(CC(N)=O)NC(=O)c1cscn1
InChIInChI=1S/C9H13N3O2S/c1-9(2,3-7(10)13)12-8(14)6-4-15-5-11-6/h4-5H,3H2,1-2H3,(H2,10,13)(H,12,14)
InChIKeyHYJMUVYDAAETGE-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.53
Rot. Bonds4

About N-(4-amino-2-methyl-4-oxobutan-2-yl)-1,3-thiazole-4-carboxamide

N-(4-amino-2-methyl-4-oxobutan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 86815112) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-(4-amino-2-methyl-4-oxobutan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID86815112
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(CC(N)=O)NC(=O)c1cscn1
InChIInChI=1S/C9H13N3O2S/c1-9(2,3-7(10)13)12-8(14)6-4-15-5-11-6/h4-5H,3H2,1-2H3,(H2,10,13)(H,12,14)
InChIKeyHYJMUVYDAAETGE-UHFFFAOYSA-N
XLogP0.53
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-1,3-thiazole-4-carboxamide (CID 86815112) is N-(4-amino-2-methyl-4-oxobutan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-2-methyl-4-oxobutan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-amino-2-methyl-4-oxobutan-2-yl)-1,3-thiazole-4-carboxamide is CC(C)(CC(N)=O)NC(=O)c1cscn1.
What is the InChIKey of N-(4-amino-2-methyl-4-oxobutan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is HYJMUVYDAAETGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-9(2,3-7(10)13)12-8(14)6-4-15-5-11-6/h4-5H,3H2,1-2H3,(H2,10,13)(H,12,14).
What are the key properties of N-(4-amino-2-methyl-4-oxobutan-2-yl)-1,3-thiazole-4-carboxamide?
N-(4-amino-2-methyl-4-oxobutan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 227.29 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methyl-4-oxobutan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86815112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).