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

C12H20N2O3S — CID 65109711

IUPACN-(2-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NCC(C)(C)O
InChIInChI=1S/C12H20N2O3S/c1-9-7-18-11(16)14(9)6-4-5-10(15)13-8-12(2,3)17/h7,17H,4-6,8H2,1-3H3,(H,13,15)
InChIKeyOHUHHZCBULXHJK-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.89
Rot. Bonds6

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

N-(2-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 65109711) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID65109711
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(2-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NCC(C)(C)O
InChIInChI=1S/C12H20N2O3S/c1-9-7-18-11(16)14(9)6-4-5-10(15)13-8-12(2,3)17/h7,17H,4-6,8H2,1-3H3,(H,13,15)
InChIKeyOHUHHZCBULXHJK-UHFFFAOYSA-N
XLogP0.89
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 103770091
N-cyclopropyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 34844484
2-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]acetic acid
CID 43354497
N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43392550
N-(3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43417732
N-(1-hydroxybutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43418044
n-(2-Hydroxypropyl)-4-(4-methyl-2-oxothiazol-3(2h)-yl)butanamide
CID 43418392
N-(1-hydroxypropan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43418731
N-(1-hydroxy-2-methylpropan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43500575
4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propylbutanamide
CID 60664920
4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide
CID 60664933
N-butan-2-yl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 60664950

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 65109711) is N-(2-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is Cc1csc(=O)n1CCCC(=O)NCC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is OHUHHZCBULXHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9-7-18-11(16)14(9)6-4-5-10(15)13-8-12(2,3)17/h7,17H,4-6,8H2,1-3H3,(H,13,15).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-(2-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 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 65109711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).