2-methyl-5-[[methyl-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]furan-3-carboxylic acid

C16H18N2O5S — CID 120523017

IUPAC2-methyl-5-[[methyl-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)c2csc(C3CCCO3)n2)cc1C(=O)O
InChIInChI=1S/C16H18N2O5S/c1-9-11(16(20)21)6-10(23-9)7-18(2)15(19)12-8-24-14(17-12)13-4-3-5-22-13/h6,8,13H,3-5,7H2,1-2H3,(H,20,21)
InChIKeyNMIIYPHUHBDDAG-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.87
Rot. Bonds5

About 2-methyl-5-[[methyl-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[methyl-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 120523017) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-methyl-5-[[methyl-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[methyl-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]furan-3-carboxylic acid
PubChem CID120523017
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name2-methyl-5-[[methyl-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)c2csc(C3CCCO3)n2)cc1C(=O)O
InChIInChI=1S/C16H18N2O5S/c1-9-11(16(20)21)6-10(23-9)7-18(2)15(19)12-8-24-14(17-12)13-4-3-5-22-13/h6,8,13H,3-5,7H2,1-2H3,(H,20,21)
InChIKeyNMIIYPHUHBDDAG-UHFFFAOYSA-N
XLogP2.87
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-[[methyl-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]furan-3-carboxylic acid with MolForge

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Related Compounds

5-[[(2-cyclopropyl-1,3-thiazole-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 99585209
4-[methyl-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 120513919
N-(3-hydroxybutyl)-N-methyl-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
CID 109477905
5-[[(5-cyclopropyl-1H-pyrazole-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222313
2-methyl-5-[[methyl-(6-methylpyridine-2-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 119221765
5-[[2,3-dihydro-1,4-benzodioxine-6-carbonyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222009
2-methyl-5-[[methyl-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]methyl]furan-3-carboxylic acid
CID 125151720
5-[[(2-cyclopropylquinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120522952
2-methyl-5-[[methyl(oxan-3-ylmethyl)amino]methyl]furan-3-carboxylic acid
CID 63713788
5-[[[3-(cyclopropylsulfamoyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222473
5-[[[3-(cyclohexanecarbonylamino)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222065
5-[[(2-cyclopentyloxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221920

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[methyl-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[methyl-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]furan-3-carboxylic acid (CID 120523017) is 2-methyl-5-[[methyl-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[methyl-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[methyl-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]furan-3-carboxylic acid is Cc1oc(CN(C)C(=O)c2csc(C3CCCO3)n2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[methyl-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is NMIIYPHUHBDDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-9-11(16(20)21)6-10(23-9)7-18(2)15(19)12-8-24-14(17-12)13-4-3-5-22-13/h6,8,13H,3-5,7H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-5-[[methyl-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[methyl-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 350.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[methyl-[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 120523017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).