2-(methoxymethyl)-4-methyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,3-thiazole-5-carboxamide

C18H24N2O3S — CID 119046733

IUPAC2-(methoxymethyl)-4-methyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2sc(COC)nc2C)c(C)c1
InChIInChI=1S/C18H24N2O3S/c1-5-8-23-15-7-6-14(12(2)9-15)10-19-18(21)17-13(3)20-16(24-17)11-22-4/h6-7,9H,5,8,10-11H2,1-4H3,(H,19,21)
InChIKeyUQNTUBWUGNSKSO-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.63
Rot. Bonds8

About 2-(methoxymethyl)-4-methyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,3-thiazole-5-carboxamide

2-(methoxymethyl)-4-methyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 119046733) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-methyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-4-methyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID119046733
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name2-(methoxymethyl)-4-methyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2sc(COC)nc2C)c(C)c1
InChIInChI=1S/C18H24N2O3S/c1-5-8-23-15-7-6-14(12(2)9-15)10-19-18(21)17-13(3)20-16(24-17)11-22-4/h6-7,9H,5,8,10-11H2,1-4H3,(H,19,21)
InChIKeyUQNTUBWUGNSKSO-UHFFFAOYSA-N
XLogP3.63
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 50746403
N-[(4-chlorophenyl)methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374810
5-ethyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 119045965
4-[[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]benzoic acid
CID 120512064
2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
CID 110374853
4-methyl-2-[2-oxo-2-[(3-propoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 9147936
2-[2-[2-(3,4-dimethylphenoxy)ethylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9155066
4-methyl-2-[2-oxo-2-[(3-propoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylate
CID 9147935
2-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 46741139
2-(methoxymethyl)-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374817
N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine
CID 82553666
2-(methoxymethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374885

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-methyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(methoxymethyl)-4-methyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,3-thiazole-5-carboxamide (CID 119046733) is 2-(methoxymethyl)-4-methyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(methoxymethyl)-4-methyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(methoxymethyl)-4-methyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,3-thiazole-5-carboxamide is CCCOc1ccc(CNC(=O)c2sc(COC)nc2C)c(C)c1.
What is the InChIKey of 2-(methoxymethyl)-4-methyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is UQNTUBWUGNSKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-5-8-23-15-7-6-14(12(2)9-15)10-19-18(21)17-13(3)20-16(24-17)11-22-4/h6-7,9H,5,8,10-11H2,1-4H3,(H,19,21).
What are the key properties of 2-(methoxymethyl)-4-methyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
2-(methoxymethyl)-4-methyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-methyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119046733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).