N-(6-hydroxyhexyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C12H20N2O3S — CID 113351813

IUPACN-(6-hydroxyhexyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCCCCCCO
InChIInChI=1S/C12H20N2O3S/c1-10-9-18-12(17)14(10)8-11(16)13-6-4-2-3-5-7-15/h9,15H,2-8H2,1H3,(H,13,16)
InChIKeyWNSQPHNGPNXMQI-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.89
Rot. Bonds8

About N-(6-hydroxyhexyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-(6-hydroxyhexyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 113351813) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID113351813
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(6-hydroxyhexyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NCCCCCCO
InChIInChI=1S/C12H20N2O3S/c1-10-9-18-12(17)14(10)8-11(16)13-6-4-2-3-5-7-15/h9,15H,2-8H2,1H3,(H,13,16)
InChIKeyWNSQPHNGPNXMQI-UHFFFAOYSA-N
XLogP0.89
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoic acid
CID 43352937
N-(4-hydroxycyclohexyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43392360
N-(3-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43417694
N-(1-hydroxybutan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43418007
3-[2-[2-(Hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 43421240
N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 61246068
N-(2-hydroxycyclohexyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 62359953
N-[1-(hydroxymethyl)cyclopentyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 62518627
N-[1-(hydroxymethyl)cyclohexyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 62520588
N-(3-hydroxybutyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 64449714
N-(3-hydroxy-2-methylpropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 65036828
N-[(2-hydroxycyclopentyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 65835228

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(6-hydroxyhexyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 113351813) is N-(6-hydroxyhexyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(6-hydroxyhexyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1csc(=O)n1CC(=O)NCCCCCCO.
What is the InChIKey of N-(6-hydroxyhexyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is WNSQPHNGPNXMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-10-9-18-12(17)14(10)8-11(16)13-6-4-2-3-5-7-15/h9,15H,2-8H2,1H3,(H,13,16).
What are the key properties of N-(6-hydroxyhexyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-(6-hydroxyhexyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 272.37 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 113351813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).