N-[(1-hydroxycyclopentyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C13H20N2O3S — CID 111331164

IUPACN-[(1-hydroxycyclopentyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NCC1(O)CCCC1
InChIInChI=1S/C13H20N2O3S/c1-10-8-19-12(17)15(10)7-4-11(16)14-9-13(18)5-2-3-6-13/h8,18H,2-7,9H2,1H3,(H,14,16)
InChIKeyGQYJHWVMLWCJID-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.03
Rot. Bonds5

About N-[(1-hydroxycyclopentyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-[(1-hydroxycyclopentyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 111331164) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID111331164
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NCC1(O)CCCC1
InChIInChI=1S/C13H20N2O3S/c1-10-8-19-12(17)15(10)7-4-11(16)14-9-13(18)5-2-3-6-13/h8,18H,2-7,9H2,1H3,(H,14,16)
InChIKeyGQYJHWVMLWCJID-UHFFFAOYSA-N
XLogP1.03
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 62517927
N-[(1-hydroxycyclopentyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 64196019
N-[(1-hydroxycyclopentyl)methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 64197378
N-(2-ethyl-2-hydroxybutyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 65114072
N-[(1-hydroxycyclohexyl)methyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 65114101
N-(2-hydroxy-2,4-dimethylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 66178759
N-(2-cyclopentyl-2-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 72116015
N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 86807896
N-[(2R)-2-cyclopentyl-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 95783264
N-[(2S)-2-cyclopentyl-2-hydroxypropyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 95783265
N-(2-hydroxy-2-methylpentyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 103712921
4-[[(1-hydroxycyclopentyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381004

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 111331164) is N-[(1-hydroxycyclopentyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is Cc1csc(=O)n1CCC(=O)NCC1(O)CCCC1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is GQYJHWVMLWCJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-8-19-12(17)15(10)7-4-11(16)14-9-13(18)5-2-3-6-13/h8,18H,2-7,9H2,1H3,(H,14,16).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-[(1-hydroxycyclopentyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 284.38 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 111331164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).