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

C12H14N2O3S — CID 114127035

IUPAC5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-3-carboxylic acid
SMILESCC(CNCc1cc(C(=O)O)co1)c1nccs1
InChIInChI=1S/C12H14N2O3S/c1-8(11-14-2-3-18-11)5-13-6-10-4-9(7-17-10)12(15)16/h2-4,7-8,13H,5-6H2,1H3,(H,15,16)
InChIKeyANBQTBWVFVLRLS-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.33
Rot. Bonds6

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

5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-3-carboxylic acid (PubChem CID 114127035) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-3-carboxylic acid
PubChem CID114127035
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-3-carboxylic acid
SMILESCC(CNCc1cc(C(=O)O)co1)c1nccs1
InChIInChI=1S/C12H14N2O3S/c1-8(11-14-2-3-18-11)5-13-6-10-4-9(7-17-10)12(15)16/h2-4,7-8,13H,5-6H2,1H3,(H,15,16)
InChIKeyANBQTBWVFVLRLS-UHFFFAOYSA-N
XLogP2.33
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-2-carboxylate
CID 104588713
5-amino-6-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
CID 114129018
5-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 104608743
2-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 104588791
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 103527680
1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)propylamino]pyrazole-4-carboxylic acid
CID 114129140
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
N-[(4-tert-butylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588811
N-[(3,5-dimethoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588814
2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
CID 104583148
2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine
CID 104588660
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588641

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-3-carboxylic acid (CID 114127035) is 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-3-carboxylic acid is CC(CNCc1cc(C(=O)O)co1)c1nccs1.
What is the InChIKey of 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-3-carboxylic acid?
The InChIKey is ANBQTBWVFVLRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-8(11-14-2-3-18-11)5-13-6-10-4-9(7-17-10)12(15)16/h2-4,7-8,13H,5-6H2,1H3,(H,15,16).
What are the key properties of 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-3-carboxylic acid?
5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-3-carboxylic acid has a molecular weight of 266.32 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1,3-thiazol-2-yl)propylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 114127035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).