3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]butanoic acid

C11H16N2O4S — CID 120522680

IUPAC3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]butanoic acid
SMILESCOCc1nc(C)c(C(=O)NC(C)CC(=O)O)s1
InChIInChI=1S/C11H16N2O4S/c1-6(4-9(14)15)12-11(16)10-7(2)13-8(18-10)5-17-3/h6H,4-5H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyWYPSTGUBXYFMDB-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.19
Rot. Bonds6

About 3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]butanoic acid

3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]butanoic acid (PubChem CID 120522680) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]butanoic acid
PubChem CID120522680
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]butanoic acid
SMILESCOCc1nc(C)c(C(=O)NC(C)CC(=O)O)s1
InChIInChI=1S/C11H16N2O4S/c1-6(4-9(14)15)12-11(16)10-7(2)13-8(18-10)5-17-3/h6H,4-5H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyWYPSTGUBXYFMDB-UHFFFAOYSA-N
XLogP1.19
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methoxymethyl)-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374805
2-(4-bromophenyl)-2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]acetic acid
CID 120518141
2-(methoxymethyl)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 110374872
2-[(4-fluorophenoxy)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24639532
2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 39084112
2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
CID 110374853
2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide
CID 45154156
2-(methoxymethyl)-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374817
4-[[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]benzoic acid
CID 120512064
N-[(S)-(2-chlorophenyl)-cyanomethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 97245984
2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclooctane-1-carboxylic acid
CID 120532919
3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-propan-2-yloxybenzoic acid
CID 120517845

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]butanoic acid?
The IUPAC name of 3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]butanoic acid (CID 120522680) is 3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]butanoic acid.
What is the SMILES notation for 3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]butanoic acid?
The canonical SMILES for 3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]butanoic acid is COCc1nc(C)c(C(=O)NC(C)CC(=O)O)s1.
What is the InChIKey of 3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]butanoic acid?
The InChIKey is WYPSTGUBXYFMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-6(4-9(14)15)12-11(16)10-7(2)13-8(18-10)5-17-3/h6H,4-5H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]butanoic acid?
3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]butanoic acid has a molecular weight of 272.33 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]butanoic acid is sourced from PubChem (CID 120522680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).