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

C11H12N2O3S — CID 104608743

IUPAC5-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]furan-3-carboxylic acid
SMILESCc1csc(CNCc2cc(C(=O)O)co2)n1
InChIInChI=1S/C11H12N2O3S/c1-7-6-17-10(13-7)4-12-3-9-2-8(5-16-9)11(14)15/h2,5-6,12H,3-4H2,1H3,(H,14,15)
InChIKeyHSXUJRSTARRPOI-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.03
Rot. Bonds5

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

5-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]furan-3-carboxylic acid (PubChem CID 104608743) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]furan-3-carboxylic acid
PubChem CID104608743
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name5-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]furan-3-carboxylic acid
SMILESCc1csc(CNCc2cc(C(=O)O)co2)n1
InChIInChI=1S/C11H12N2O3S/c1-7-6-17-10(13-7)4-12-3-9-2-8(5-16-9)11(14)15/h2,5-6,12H,3-4H2,1H3,(H,14,15)
InChIKeyHSXUJRSTARRPOI-UHFFFAOYSA-N
XLogP2.03
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]furan-3-carboxylic acid
CID 104608731
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]furan-3-carboxylic acid
CID 104608825
3,5-difluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzoic acid
CID 63185095
5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-3-carboxylic acid
CID 114127035
1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrazole-4-carboxylic acid
CID 63757916
5-[[(4-bromophenyl)methylamino]methyl]furan-3-carboxylic acid
CID 104608030
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 61043119
6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carboxylic acid
CID 107553402
3-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]but-2-enoic acid
CID 103242297
5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]furan-3-carboxylic acid
CID 104608919
4-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 61044081
5-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]furan-3-carboxylic acid
CID 104608110

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]furan-3-carboxylic acid (CID 104608743) is 5-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]furan-3-carboxylic acid is Cc1csc(CNCc2cc(C(=O)O)co2)n1.
What is the InChIKey of 5-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]furan-3-carboxylic acid?
The InChIKey is HSXUJRSTARRPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-7-6-17-10(13-7)4-12-3-9-2-8(5-16-9)11(14)15/h2,5-6,12H,3-4H2,1H3,(H,14,15).
What are the key properties of 5-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]furan-3-carboxylic acid?
5-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]furan-3-carboxylic acid has a molecular weight of 252.29 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104608743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).