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

C14H22N2O3S — CID 114630897

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C14H22N2O3S/c1-9-8-20-13(19)16(9)6-4-5-12(18)15-10-7-11(17)14(10,2)3/h8,10-11,17H,4-7H2,1-3H3,(H,15,18)
InChIKeyPLYPNBYMHHHWFI-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.27
Rot. Bonds5

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

N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 114630897) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID114630897
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C14H22N2O3S/c1-9-8-20-13(19)16(9)6-4-5-12(18)15-10-7-11(17)14(10,2)3/h8,10-11,17H,4-7H2,1-3H3,(H,15,18)
InChIKeyPLYPNBYMHHHWFI-UHFFFAOYSA-N
XLogP1.27
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 114630897) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is Cc1csc(=O)n1CCCC(=O)NC1CC(O)C1(C)C.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is PLYPNBYMHHHWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-9-8-20-13(19)16(9)6-4-5-12(18)15-10-7-11(17)14(10,2)3/h8,10-11,17H,4-7H2,1-3H3,(H,15,18).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 298.41 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 114630897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).