2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylpentyl)acetamide

C12H20N2O2S — CID 78853102

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylpentyl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCCCC(C)C
InChIInChI=1S/C12H20N2O2S/c1-9(2)5-4-6-13-11(15)7-14-10(3)8-17-12(14)16/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyAKYFJMLNLSARRW-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.77
Rot. Bonds6

About 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylpentyl)acetamide

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylpentyl)acetamide (PubChem CID 78853102) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylpentyl)acetamide
PubChem CID78853102
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylpentyl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCCCC(C)C
InChIInChI=1S/C12H20N2O2S/c1-9(2)5-4-6-13-11(15)7-14-10(3)8-17-12(14)16/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyAKYFJMLNLSARRW-UHFFFAOYSA-N
XLogP1.77
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylpentyl)acetamide?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylpentyl)acetamide (CID 78853102) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylpentyl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylpentyl)acetamide?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylpentyl)acetamide is Cc1csc(=O)n1CC(=O)NCCCC(C)C.
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylpentyl)acetamide?
The InChIKey is AKYFJMLNLSARRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9(2)5-4-6-13-11(15)7-14-10(3)8-17-12(14)16/h8-9H,4-7H2,1-3H3,(H,13,15).
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylpentyl)acetamide?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylpentyl)acetamide has a molecular weight of 256.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylpentyl)acetamide is sourced from PubChem (CID 78853102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).