2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide

C12H20N2O2S — CID 110374853

IUPAC2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
SMILESCCCCCNC(=O)c1sc(COC)nc1C
InChIInChI=1S/C12H20N2O2S/c1-4-5-6-7-13-12(15)11-9(2)14-10(17-11)8-16-3/h4-8H2,1-3H3,(H,13,15)
InChIKeyQOBHMUKEVCZIJD-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.52
Rot. Bonds7

About 2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide

2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide (PubChem CID 110374853) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
PubChem CID110374853
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
SMILESCCCCCNC(=O)c1sc(COC)nc1C
InChIInChI=1S/C12H20N2O2S/c1-4-5-6-7-13-12(15)11-9(2)14-10(17-11)8-16-3/h4-8H2,1-3H3,(H,13,15)
InChIKeyQOBHMUKEVCZIJD-UHFFFAOYSA-N
XLogP2.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxymethyl)-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374817
4-methyl-N-[3-(methylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 119431660
N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374794
N-[(4-chlorophenyl)methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374810
4-[[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]benzoic acid
CID 120512064
3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]butanoic acid
CID 120522680
4-methyl-2-(N-methylanilino)-N-pentyl-1,3-thiazole-5-carboxamide
CID 30141824
2-(methoxymethyl)-4-methyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 119046733
N-butyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 110676610
2-(methoxymethyl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110374795
2-[(3,4-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 50746403
2-(3-ethoxyphenyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
CID 143281441

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide (CID 110374853) is 2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide is CCCCCNC(=O)c1sc(COC)nc1C.
What is the InChIKey of 2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide?
The InChIKey is QOBHMUKEVCZIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-5-6-7-13-12(15)11-9(2)14-10(17-11)8-16-3/h4-8H2,1-3H3,(H,13,15).
What are the key properties of 2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide?
2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110374853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).