N-(2-hydroxy-2,4-dimethylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

C15H26N2O3S — CID 66178759

IUPACN-(2-hydroxy-2,4-dimethylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C15H26N2O3S/c1-11(2)8-15(4,20)10-16-13(18)6-5-7-17-12(3)9-21-14(17)19/h9,11,20H,5-8,10H2,1-4H3,(H,16,18)
InChIKeySGEWARKHOBUHJY-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.91
Rot. Bonds8

About N-(2-hydroxy-2,4-dimethylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

N-(2-hydroxy-2,4-dimethylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 66178759) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(2-hydroxy-2,4-dimethylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,4-dimethylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID66178759
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-(2-hydroxy-2,4-dimethylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C15H26N2O3S/c1-11(2)8-15(4,20)10-16-13(18)6-5-7-17-12(3)9-21-14(17)19/h9,11,20H,5-8,10H2,1-4H3,(H,16,18)
InChIKeySGEWARKHOBUHJY-UHFFFAOYSA-N
XLogP1.91
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 66178759) is N-(2-hydroxy-2,4-dimethylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-(2-hydroxy-2,4-dimethylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-(2-hydroxy-2,4-dimethylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is Cc1csc(=O)n1CCCC(=O)NCC(C)(O)CC(C)C.
What is the InChIKey of N-(2-hydroxy-2,4-dimethylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is SGEWARKHOBUHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-11(2)8-15(4,20)10-16-13(18)6-5-7-17-12(3)9-21-14(17)19/h9,11,20H,5-8,10H2,1-4H3,(H,16,18).
What are the key properties of N-(2-hydroxy-2,4-dimethylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-(2-hydroxy-2,4-dimethylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 314.45 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,4-dimethylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 66178759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).