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

C12H12N2O4S — CID 104607651

IUPAC5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
SMILESCc1csc(C(C)NC(=O)c2cc(C(=O)O)co2)n1
InChIInChI=1S/C12H12N2O4S/c1-6-5-19-11(13-6)7(2)14-10(15)9-3-8(4-18-9)12(16)17/h3-5,7H,1-2H3,(H,14,15)(H,16,17)
InChIKeyOLGOPKDWPPCSAX-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.23
Rot. Bonds4

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

5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid (PubChem CID 104607651) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
PubChem CID104607651
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
SMILESCc1csc(C(C)NC(=O)c2cc(C(=O)O)co2)n1
InChIInChI=1S/C12H12N2O4S/c1-6-5-19-11(13-6)7(2)14-10(15)9-3-8(4-18-9)12(16)17/h3-5,7H,1-2H3,(H,14,15)(H,16,17)
InChIKeyOLGOPKDWPPCSAX-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-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 104607848
3,4-dihydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103956894
2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569
3-(3-hydroxy-3-methylbutyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 95894287
(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78995805
methyl 3-(furan-2-yl)-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]benzoate
CID 68671684
4-fluoro-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702418
2-[1-[(2-methylpyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 106752684
2-(2-methoxyethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 103642136
2-fluoro-4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 113319865
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-6-carboxamide
CID 63022253
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875872

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid (CID 104607651) is 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid is Cc1csc(C(C)NC(=O)c2cc(C(=O)O)co2)n1.
What is the InChIKey of 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is OLGOPKDWPPCSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-6-5-19-11(13-6)7(2)14-10(15)9-3-8(4-18-9)12(16)17/h3-5,7H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid?
5-[1-(4-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-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 104607651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).