2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid

C15H18N2O4S — CID 119250199

IUPAC2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
SMILESCc1ccc(-c2nc(CC(=O)NCC(C)(C)C(=O)O)cs2)o1
InChIInChI=1S/C15H18N2O4S/c1-9-4-5-11(21-9)13-17-10(7-22-13)6-12(18)16-8-15(2,3)14(19)20/h4-5,7H,6,8H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyMGTAFPSQDJCFEM-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.48
Rot. Bonds6

About 2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid

2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid (PubChem CID 119250199) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
PubChem CID119250199
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
SMILESCc1ccc(-c2nc(CC(=O)NCC(C)(C)C(=O)O)cs2)o1
InChIInChI=1S/C15H18N2O4S/c1-9-4-5-11(21-9)13-17-10(7-22-13)6-12(18)16-8-15(2,3)14(19)20/h4-5,7H,6,8H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyMGTAFPSQDJCFEM-UHFFFAOYSA-N
XLogP2.48
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid with MolForge

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119642126
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
N-[2-(methylamino)propyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 120831629
3-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249390
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119607540
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55606036
2,2-dimethyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 119249348
N-[(2R)-2-(ethylamino)propyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 120652026
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 46422498
2-[4-[[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698581
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119526467
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[(2-nitrophenyl)methyl]acetamide
CID 55798951

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid (CID 119250199) is 2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid is Cc1ccc(-c2nc(CC(=O)NCC(C)(C)C(=O)O)cs2)o1.
What is the InChIKey of 2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid?
The InChIKey is MGTAFPSQDJCFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-9-4-5-11(21-9)13-17-10(7-22-13)6-12(18)16-8-15(2,3)14(19)20/h4-5,7H,6,8H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid?
2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid has a molecular weight of 322.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid is sourced from PubChem (CID 119250199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).