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

C10H14N2O2S — CID 734580

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-methylpropanamide
SMILESCC(=O)c1sc(NC(=O)C(C)C)nc1C
InChIInChI=1S/C10H14N2O2S/c1-5(2)9(14)12-10-11-6(3)8(15-10)7(4)13/h5H,1-4H3,(H,11,12,14)
InChIKeyANFXSJDPGZAMEP-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.25
Rot. Bonds3

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

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-methylpropanamide (PubChem CID 734580) 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)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-methylpropanamide
PubChem CID734580
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-methylpropanamide
SMILESCC(=O)c1sc(NC(=O)C(C)C)nc1C
InChIInChI=1S/C10H14N2O2S/c1-5(2)9(14)12-10-11-6(3)8(15-10)7(4)13/h5H,1-4H3,(H,11,12,14)
InChIKeyANFXSJDPGZAMEP-UHFFFAOYSA-N
XLogP2.25
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.25
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)-2-methylpropanamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-methylpropanamide (CID 734580) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-methylpropanamide is CC(=O)c1sc(NC(=O)C(C)C)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-methylpropanamide?
The InChIKey is ANFXSJDPGZAMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-5(2)9(14)12-10-11-6(3)8(15-10)7(4)13/h5H,1-4H3,(H,11,12,14).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-methylpropanamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-methylpropanamide has a molecular weight of 226.30 g/mol, XLogP of 2.25, 3 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)-2-methylpropanamide is sourced from PubChem (CID 734580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).