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

C12H18N2O3S — CID 62518627

IUPACN-[1-(hydroxymethyl)cyclopentyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NC1(CO)CCCC1
InChIInChI=1S/C12H18N2O3S/c1-9-7-18-11(17)14(9)6-10(16)13-12(8-15)4-2-3-5-12/h7,15H,2-6,8H2,1H3,(H,13,16)
InChIKeyJOGUTYGVNHKQKA-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.64
Rot. Bonds4

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

N-[1-(hydroxymethyl)cyclopentyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 62518627) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID62518627
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NC1(CO)CCCC1
InChIInChI=1S/C12H18N2O3S/c1-9-7-18-11(17)14(9)6-10(16)13-12(8-15)4-2-3-5-12/h7,15H,2-6,8H2,1H3,(H,13,16)
InChIKeyJOGUTYGVNHKQKA-UHFFFAOYSA-N
XLogP0.64
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 62518627) is N-[1-(hydroxymethyl)cyclopentyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1csc(=O)n1CC(=O)NC1(CO)CCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is JOGUTYGVNHKQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-7-18-11(17)14(9)6-10(16)13-12(8-15)4-2-3-5-12/h7,15H,2-6,8H2,1H3,(H,13,16).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-[1-(hydroxymethyl)cyclopentyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 270.35 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 62518627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).