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

C10H10N2O3S — CID 63283798

IUPAC5-[(4-methyl-1,3-thiazol-5-yl)methylamino]furan-2-carboxylic acid
SMILESCc1ncsc1CNc1ccc(C(=O)O)o1
InChIInChI=1S/C10H10N2O3S/c1-6-8(16-5-12-6)4-11-9-3-2-7(15-9)10(13)14/h2-3,5,11H,4H2,1H3,(H,13,14)
InChIKeyZHWOJPCHJFGRSS-UHFFFAOYSA-N
MW238.27 g/mol
LogP2.35
Rot. Bonds4

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

5-[(4-methyl-1,3-thiazol-5-yl)methylamino]furan-2-carboxylic acid (PubChem CID 63283798) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 5-[(4-methyl-1,3-thiazol-5-yl)methylamino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methyl-1,3-thiazol-5-yl)methylamino]furan-2-carboxylic acid
PubChem CID63283798
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name5-[(4-methyl-1,3-thiazol-5-yl)methylamino]furan-2-carboxylic acid
SMILESCc1ncsc1CNc1ccc(C(=O)O)o1
InChIInChI=1S/C10H10N2O3S/c1-6-8(16-5-12-6)4-11-9-3-2-7(15-9)10(13)14/h2-3,5,11H,4H2,1H3,(H,13,14)
InChIKeyZHWOJPCHJFGRSS-UHFFFAOYSA-N
XLogP2.35
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-1,3-thiazol-5-yl)methylamino]furan-2-carboxylic acid?
The IUPAC name of 5-[(4-methyl-1,3-thiazol-5-yl)methylamino]furan-2-carboxylic acid (CID 63283798) is 5-[(4-methyl-1,3-thiazol-5-yl)methylamino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(4-methyl-1,3-thiazol-5-yl)methylamino]furan-2-carboxylic acid?
The canonical SMILES for 5-[(4-methyl-1,3-thiazol-5-yl)methylamino]furan-2-carboxylic acid is Cc1ncsc1CNc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(4-methyl-1,3-thiazol-5-yl)methylamino]furan-2-carboxylic acid?
The InChIKey is ZHWOJPCHJFGRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-6-8(16-5-12-6)4-11-9-3-2-7(15-9)10(13)14/h2-3,5,11H,4H2,1H3,(H,13,14).
What are the key properties of 5-[(4-methyl-1,3-thiazol-5-yl)methylamino]furan-2-carboxylic acid?
5-[(4-methyl-1,3-thiazol-5-yl)methylamino]furan-2-carboxylic acid has a molecular weight of 238.27 g/mol, XLogP of 2.35, 4 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-5-yl)methylamino]furan-2-carboxylic acid is sourced from PubChem (CID 63283798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).