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

C10H10N2O4S — CID 106382356

IUPAC2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H10N2O4S/c13-9(14)7-1-2-16-8(7)4-11-3-6-5-17-10(15)12-6/h1-2,5,11H,3-4H2,(H,12,15)(H,13,14)
InChIKeyUJDBJZOGXVCRLL-UHFFFAOYSA-N
MW254.27 g/mol
LogP1.02
Rot. Bonds5

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

2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]furan-3-carboxylic acid (PubChem CID 106382356) has the molecular formula C10H10N2O4S and a molecular weight of 254.27 g/mol. Its IUPAC name is 2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]furan-3-carboxylic acid
PubChem CID106382356
Molecular FormulaC10H10N2O4S
Molecular Weight254.27 g/mol
Exact Mass254.04
IUPAC Name2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H10N2O4S/c13-9(14)7-1-2-16-8(7)4-11-3-6-5-17-10(15)12-6/h1-2,5,11H,3-4H2,(H,12,15)(H,13,14)
InChIKeyUJDBJZOGXVCRLL-UHFFFAOYSA-N
XLogP1.02
TPSA95.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(5-ethylthiophen-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 106004291
5-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]thiophene-3-carboxylic acid
CID 106380427
2-[(2-hydroxyethylamino)methyl]furan-3-carboxylic acid
CID 103238234
4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 106382336
2-[(furan-2-ylmethylamino)methyl]furan-3-carboxylic acid
CID 103235122
2-[[(2-methylphenyl)methylamino]methyl]furan-3-carboxylic acid
CID 103239789
2-(butylaminomethyl)furan-3-carboxylic acid
CID 103232661
2-[4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]phenyl]propanoic acid
CID 106382338
N-[4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]phenyl]acetamide
CID 106379644
2-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]furan-3-carboxylic acid
CID 106178210
2-[(hexylamino)methyl]furan-3-carboxylic acid
CID 103251782
4-[(1,3-thiazol-4-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380405

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]furan-3-carboxylic acid (CID 106382356) is 2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]furan-3-carboxylic acid is O=C(O)c1ccoc1CNCc1csc(=O)[nH]1.
What is the InChIKey of 2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]furan-3-carboxylic acid?
The InChIKey is UJDBJZOGXVCRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S/c13-9(14)7-1-2-16-8(7)4-11-3-6-5-17-10(15)12-6/h1-2,5,11H,3-4H2,(H,12,15)(H,13,14).
What are the key properties of 2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]furan-3-carboxylic acid?
2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]furan-3-carboxylic acid has a molecular weight of 254.27 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 106382356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).