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

C9H14N2O3S — CID 83032248

IUPACN-[(2R)-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NC[C@@H](C)O
InChIInChI=1S/C9H14N2O3S/c1-6-5-15-9(14)11(6)4-8(13)10-3-7(2)12/h5,7,12H,3-4H2,1-2H3,(H,10,13)/t7-/m1/s1
InChIKeyMRJCCHNDPNTDFU-SSDOTTSWSA-N
MW230.29 g/mol
LogP-0.28
Rot. Bonds4

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

N-[(2R)-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 83032248) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID83032248
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC NameN-[(2R)-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NC[C@@H](C)O
InChIInChI=1S/C9H14N2O3S/c1-6-5-15-9(14)11(6)4-8(13)10-3-7(2)12/h5,7,12H,3-4H2,1-2H3,(H,10,13)/t7-/m1/s1
InChIKeyMRJCCHNDPNTDFU-SSDOTTSWSA-N
XLogP-0.28
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 83032248) is N-[(2R)-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1csc(=O)n1CC(=O)NC[C@@H](C)O.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is MRJCCHNDPNTDFU-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-6-5-15-9(14)11(6)4-8(13)10-3-7(2)12/h5,7,12H,3-4H2,1-2H3,(H,10,13)/t7-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-[(2R)-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 230.29 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 83032248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).