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

C12H20N2O3S — CID 65034568

IUPACN-(3-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NCC(C)CO
InChIInChI=1S/C12H20N2O3S/c1-9(7-15)6-13-11(16)4-3-5-14-10(2)8-18-12(14)17/h8-9,15H,3-7H2,1-2H3,(H,13,16)
InChIKeyYMEOACQEHTZIOY-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.74
Rot. Bonds7

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

N-(3-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 65034568) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID65034568
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(3-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NCC(C)CO
InChIInChI=1S/C12H20N2O3S/c1-9(7-15)6-13-11(16)4-3-5-14-10(2)8-18-12(14)17/h8-9,15H,3-7H2,1-2H3,(H,13,16)
InChIKeyYMEOACQEHTZIOY-UHFFFAOYSA-N
XLogP0.74
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.74
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-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 65034568) is N-(3-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is Cc1csc(=O)n1CCCC(=O)NCC(C)CO.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is YMEOACQEHTZIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9(7-15)6-13-11(16)4-3-5-14-10(2)8-18-12(14)17/h8-9,15H,3-7H2,1-2H3,(H,13,16).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-(3-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 272.37 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 65034568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).