N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-2-methylpropanamide

C9H13N3O2S — CID 64557722

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2-amino-2-methylpropanamide
SMILESCC(=O)c1csc(NC(=O)C(C)(C)N)n1
InChIInChI=1S/C9H13N3O2S/c1-5(13)6-4-15-8(11-6)12-7(14)9(2,3)10/h4H,10H2,1-3H3,(H,11,12,14)
InChIKeyFFVMFJPYEKSYFF-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.02
Rot. Bonds3

About N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-2-methylpropanamide

N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-2-methylpropanamide (PubChem CID 64557722) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2-amino-2-methylpropanamide
PubChem CID64557722
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2-amino-2-methylpropanamide
SMILESCC(=O)c1csc(NC(=O)C(C)(C)N)n1
InChIInChI=1S/C9H13N3O2S/c1-5(13)6-4-15-8(11-6)12-7(14)9(2,3)10/h4H,10H2,1-3H3,(H,11,12,14)
InChIKeyFFVMFJPYEKSYFF-UHFFFAOYSA-N
XLogP1.02
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-2-methylpropanamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-2-methylpropanamide (CID 64557722) is N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-2-methylpropanamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-2-methylpropanamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-2-methylpropanamide is CC(=O)c1csc(NC(=O)C(C)(C)N)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-2-methylpropanamide?
The InChIKey is FFVMFJPYEKSYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-5(13)6-4-15-8(11-6)12-7(14)9(2,3)10/h4H,10H2,1-3H3,(H,11,12,14).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-2-methylpropanamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-2-methylpropanamide has a molecular weight of 227.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-2-methylpropanamide is sourced from PubChem (CID 64557722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).