N-[(2S)-2-hydroxypropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

C11H18N2O3S — CID 83030136

IUPACN-[(2S)-2-hydroxypropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NC[C@H](C)O
InChIInChI=1S/C11H18N2O3S/c1-8-7-17-11(16)13(8)5-3-4-10(15)12-6-9(2)14/h7,9,14H,3-6H2,1-2H3,(H,12,15)/t9-/m0/s1
InChIKeyZBPBVVFBKAUALP-VIFPVBQESA-N
MW258.34 g/mol
LogP0.50
Rot. Bonds6

About N-[(2S)-2-hydroxypropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

N-[(2S)-2-hydroxypropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 83030136) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID83030136
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-[(2S)-2-hydroxypropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NC[C@H](C)O
InChIInChI=1S/C11H18N2O3S/c1-8-7-17-11(16)13(8)5-3-4-10(15)12-6-9(2)14/h7,9,14H,3-6H2,1-2H3,(H,12,15)/t9-/m0/s1
InChIKeyZBPBVVFBKAUALP-VIFPVBQESA-N
XLogP0.50
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 83030136) is N-[(2S)-2-hydroxypropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is Cc1csc(=O)n1CCCC(=O)NC[C@H](C)O.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is ZBPBVVFBKAUALP-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8-7-17-11(16)13(8)5-3-4-10(15)12-6-9(2)14/h7,9,14H,3-6H2,1-2H3,(H,12,15)/t9-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-[(2S)-2-hydroxypropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 258.34 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 83030136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).