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

C14H24N2O3S — CID 103825418

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

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

N-(4-hydroxy-2,2-dimethylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 103825418) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID103825418
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NCC(C)(C)CCO
InChIInChI=1S/C14H24N2O3S/c1-11-9-20-13(19)16(11)7-4-5-12(18)15-10-14(2,3)6-8-17/h9,17H,4-8,10H2,1-3H3,(H,15,18)
InChIKeyUVWBAPLPRPMHID-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-(4-hydroxy-2,2-dimethylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 103825418) is N-(4-hydroxy-2,2-dimethylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is Cc1csc(=O)n1CCCC(=O)NCC(C)(C)CCO.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is UVWBAPLPRPMHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-11-9-20-13(19)16(11)7-4-5-12(18)15-10-14(2,3)6-8-17/h9,17H,4-8,10H2,1-3H3,(H,15,18).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-(4-hydroxy-2,2-dimethylbutyl)-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-(4-hydroxy-2,2-dimethylbutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 103825418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).