N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C14H24N2O3S — CID 86807896

IUPACN-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)N[C@@H](C(C)C)C(C)(C)O
InChIInChI=1S/C14H24N2O3S/c1-9(2)12(14(4,5)19)15-11(17)6-7-16-10(3)8-20-13(16)18/h8-9,12,19H,6-7H2,1-5H3,(H,15,17)/t12-/m0/s1
InChIKeyXOKJXIRLWXYOOU-LBPRGKRZSA-N
MW300.42 g/mol
LogP1.52
Rot. Bonds6

About N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 86807896) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID86807896
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)N[C@@H](C(C)C)C(C)(C)O
InChIInChI=1S/C14H24N2O3S/c1-9(2)12(14(4,5)19)15-11(17)6-7-16-10(3)8-20-13(16)18/h8-9,12,19H,6-7H2,1-5H3,(H,15,17)/t12-/m0/s1
InChIKeyXOKJXIRLWXYOOU-LBPRGKRZSA-N
XLogP1.52
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 86807896) is N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is Cc1csc(=O)n1CCC(=O)N[C@@H](C(C)C)C(C)(C)O.
What is the InChIKey of N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is XOKJXIRLWXYOOU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-9(2)12(14(4,5)19)15-11(17)6-7-16-10(3)8-20-13(16)18/h8-9,12,19H,6-7H2,1-5H3,(H,15,17)/t12-/m0/s1.
What are the key properties of N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 300.42 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 86807896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).