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

C14H24N2O3S — CID 103782549

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NC(CCO)C(C)C
InChIInChI=1S/C14H24N2O3S/c1-10(2)12(6-8-17)15-13(18)5-4-7-16-11(3)9-20-14(16)19/h9-10,12,17H,4-8H2,1-3H3,(H,15,18)
InChIKeyFKFDFRFLJRYYBD-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.52
Rot. Bonds8

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

N-(1-hydroxy-4-methylpentan-3-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 103782549) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID103782549
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NC(CCO)C(C)C
InChIInChI=1S/C14H24N2O3S/c1-10(2)12(6-8-17)15-13(18)5-4-7-16-11(3)9-20-14(16)19/h9-10,12,17H,4-8H2,1-3H3,(H,15,18)
InChIKeyFKFDFRFLJRYYBD-UHFFFAOYSA-N
XLogP1.52
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 103782549) is N-(1-hydroxy-4-methylpentan-3-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is Cc1csc(=O)n1CCCC(=O)NC(CCO)C(C)C.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is FKFDFRFLJRYYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-10(2)12(6-8-17)15-13(18)5-4-7-16-11(3)9-20-14(16)19/h9-10,12,17H,4-8H2,1-3H3,(H,15,18).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-(1-hydroxy-4-methylpentan-3-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 300.42 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 103782549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).