N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)butanamide

C10H14N2O2S — CID 734076

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc(C)c(C(C)=O)s1
InChIInChI=1S/C10H14N2O2S/c1-4-5-8(14)12-10-11-6(2)9(15-10)7(3)13/h4-5H2,1-3H3,(H,11,12,14)
InChIKeyKMMFETCHQUVWOV-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.39
Rot. Bonds4

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)butanamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 734076) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID734076
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc(C)c(C(C)=O)s1
InChIInChI=1S/C10H14N2O2S/c1-4-5-8(14)12-10-11-6(2)9(15-10)7(3)13/h4-5H2,1-3H3,(H,11,12,14)
InChIKeyKMMFETCHQUVWOV-UHFFFAOYSA-N
XLogP2.39
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)butanamide (CID 734076) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)butanamide is CCCC(=O)Nc1nc(C)c(C(C)=O)s1.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is KMMFETCHQUVWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-4-5-8(14)12-10-11-6(2)9(15-10)7(3)13/h4-5H2,1-3H3,(H,11,12,14).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)butanamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 226.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 734076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).