N-(1-hydroxypropan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C9H14N2O3S — CID 43418780

IUPACN-(1-hydroxypropan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NC(C)CO
InChIInChI=1S/C9H14N2O3S/c1-6(4-12)10-8(13)3-11-7(2)5-15-9(11)14/h5-6,12H,3-4H2,1-2H3,(H,10,13)
InChIKeyQVSHPXJNEXEXRW-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.28
Rot. Bonds4

About N-(1-hydroxypropan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-(1-hydroxypropan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 43418780) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID43418780
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC NameN-(1-hydroxypropan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NC(C)CO
InChIInChI=1S/C9H14N2O3S/c1-6(4-12)10-8(13)3-11-7(2)5-15-9(11)14/h5-6,12H,3-4H2,1-2H3,(H,10,13)
InChIKeyQVSHPXJNEXEXRW-UHFFFAOYSA-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-(1-hydroxypropan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 43418780) is N-(1-hydroxypropan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1csc(=O)n1CC(=O)NC(C)CO.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is QVSHPXJNEXEXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-6(4-12)10-8(13)3-11-7(2)5-15-9(11)14/h5-6,12H,3-4H2,1-2H3,(H,10,13).
What are the key properties of N-(1-hydroxypropan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-(1-hydroxypropan-2-yl)-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-(1-hydroxypropan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 43418780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).