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

C13H18N2O4S — CID 120519129

IUPAC2-[cyclopropyl-[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
SMILESCOCc1nc(C)c(C(=O)N(C2CC2)C(C)C(=O)O)s1
InChIInChI=1S/C13H18N2O4S/c1-7-11(20-10(14-7)6-19-3)12(16)15(9-4-5-9)8(2)13(17)18/h8-9H,4-6H2,1-3H3,(H,17,18)
InChIKeyIASHAZYXQZHLCC-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.68
Rot. Bonds6

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

2-[cyclopropyl-[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid (PubChem CID 120519129) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
PubChem CID120519129
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-[cyclopropyl-[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
SMILESCOCc1nc(C)c(C(=O)N(C2CC2)C(C)C(=O)O)s1
InChIInChI=1S/C13H18N2O4S/c1-7-11(20-10(14-7)6-19-3)12(16)15(9-4-5-9)8(2)13(17)18/h8-9H,4-6H2,1-3H3,(H,17,18)
InChIKeyIASHAZYXQZHLCC-UHFFFAOYSA-N
XLogP1.68
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-[4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carbonyl]amino]propanoic acid
CID 119202587
3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]butanoic acid
CID 120522680
2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 55919915
2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclooctane-1-carboxylic acid
CID 120532919
2-(methoxymethyl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110374795
2-(methoxymethyl)-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374805
2-(methoxymethyl)-N,4-dimethyl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110374824
2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbothioamide
CID 82427335
1-[2-(methoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone
CID 82435157
1-[4-cyclopropyl-2-(methoxymethyl)-1,3-thiazol-5-yl]ethanone
CID 82437515
1-cyclopropyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-methylbutan-2-yl)urea
CID 75378380
2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
CID 110374853

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid (CID 120519129) is 2-[cyclopropyl-[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid is COCc1nc(C)c(C(=O)N(C2CC2)C(C)C(=O)O)s1.
What is the InChIKey of 2-[cyclopropyl-[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid?
The InChIKey is IASHAZYXQZHLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-7-11(20-10(14-7)6-19-3)12(16)15(9-4-5-9)8(2)13(17)18/h8-9H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 2-[cyclopropyl-[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid?
2-[cyclopropyl-[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid has a molecular weight of 298.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid is sourced from PubChem (CID 120519129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).