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

C12H12N2O4S — CID 104607848

IUPAC5-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
SMILESCc1cnc(C(C)NC(=O)c2cc(C(=O)O)co2)s1
InChIInChI=1S/C12H12N2O4S/c1-6-4-13-11(19-6)7(2)14-10(15)9-3-8(5-18-9)12(16)17/h3-5,7H,1-2H3,(H,14,15)(H,16,17)
InChIKeyZWMIAJQZIUTFFS-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.23
Rot. Bonds4

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

5-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid (PubChem CID 104607848) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
PubChem CID104607848
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name5-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
SMILESCc1cnc(C(C)NC(=O)c2cc(C(=O)O)co2)s1
InChIInChI=1S/C12H12N2O4S/c1-6-4-13-11(19-6)7(2)14-10(15)9-3-8(5-18-9)12(16)17/h3-5,7H,1-2H3,(H,14,15)(H,16,17)
InChIKeyZWMIAJQZIUTFFS-UHFFFAOYSA-N
XLogP2.23
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 104607651
6-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrimidine-4-carboxylic acid
CID 139564980
3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103908469
2,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 113251802
2-[(2-methylpropan-2-yl)oxy]-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 112629805
3-bromo-5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 102823310
3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702022
4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid
CID 104893000
5-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 112697622
N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 164637842
2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112704951
5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 102705874

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid (CID 104607848) is 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid is Cc1cnc(C(C)NC(=O)c2cc(C(=O)O)co2)s1.
What is the InChIKey of 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is ZWMIAJQZIUTFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-6-4-13-11(19-6)7(2)14-10(15)9-3-8(5-18-9)12(16)17/h3-5,7H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid?
5-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 280.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 104607848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).