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

C13H20N2O3S — CID 62520588

IUPACN-[1-(hydroxymethyl)cyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NC1(CO)CCCCC1
InChIInChI=1S/C13H20N2O3S/c1-10-8-19-12(18)15(10)7-11(17)14-13(9-16)5-3-2-4-6-13/h8,16H,2-7,9H2,1H3,(H,14,17)
InChIKeyBRBIJXOARZDEKW-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.03
Rot. Bonds4

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

N-[1-(hydroxymethyl)cyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 62520588) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID62520588
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NC1(CO)CCCCC1
InChIInChI=1S/C13H20N2O3S/c1-10-8-19-12(18)15(10)7-11(17)14-13(9-16)5-3-2-4-6-13/h8,16H,2-7,9H2,1H3,(H,14,17)
InChIKeyBRBIJXOARZDEKW-UHFFFAOYSA-N
XLogP1.03
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 62520588) is N-[1-(hydroxymethyl)cyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1csc(=O)n1CC(=O)NC1(CO)CCCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is BRBIJXOARZDEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-8-19-12(18)15(10)7-11(17)14-13(9-16)5-3-2-4-6-13/h8,16H,2-7,9H2,1H3,(H,14,17).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-[1-(hydroxymethyl)cyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 284.38 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 62520588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).