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

C13H16N2O3S — CID 55261157

IUPAC2-methyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1ncsc1CN(C)Cc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C13H16N2O3S/c1-8-12(19-7-14-8)6-15(3)5-10-4-11(13(16)17)9(2)18-10/h4,7H,5-6H2,1-3H3,(H,16,17)
InChIKeyZKFRDIITXWMFNX-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.68
Rot. Bonds5

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

2-methyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 55261157) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-methyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-carboxylic acid
PubChem CID55261157
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name2-methyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1ncsc1CN(C)Cc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C13H16N2O3S/c1-8-12(19-7-14-8)6-15(3)5-10-4-11(13(16)17)9(2)18-10/h4,7H,5-6H2,1-3H3,(H,16,17)
InChIKeyZKFRDIITXWMFNX-UHFFFAOYSA-N
XLogP2.68
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 79386693
2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid
CID 43477425
N-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 55256758
2-[2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]acetic acid
CID 115462913
5-[[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 154763098
[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methanamine
CID 55256757
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
5-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 114950163
5-[(1,3-benzothiazol-6-ylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 107805894
methyl 2-methyl-5-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]furan-3-carboxylate
CID 55171103
2-methyl-5-[[methyl(3-methylbutan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 43570316
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-carboxylic acid (CID 55261157) is 2-methyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-carboxylic acid is Cc1ncsc1CN(C)Cc1cc(C(=O)O)c(C)o1.
What is the InChIKey of 2-methyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is ZKFRDIITXWMFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-8-12(19-7-14-8)6-15(3)5-10-4-11(13(16)17)9(2)18-10/h4,7H,5-6H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 280.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 55261157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).