2-[3-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]furan-2-yl]acetic acid

C12H12N2O4S — CID 114217782

IUPAC2-[3-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]furan-2-yl]acetic acid
SMILESCc1nc(CNC(=O)c2ccoc2CC(=O)O)cs1
InChIInChI=1S/C12H12N2O4S/c1-7-14-8(6-19-7)5-13-12(17)9-2-3-18-10(9)4-11(15)16/h2-3,6H,4-5H2,1H3,(H,13,17)(H,15,16)
InChIKeyKQRSYPYXOCEURM-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.60
Rot. Bonds5

About 2-[3-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]furan-2-yl]acetic acid

2-[3-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]furan-2-yl]acetic acid (PubChem CID 114217782) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-[3-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]furan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]furan-2-yl]acetic acid
PubChem CID114217782
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name2-[3-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]furan-2-yl]acetic acid
SMILESCc1nc(CNC(=O)c2ccoc2CC(=O)O)cs1
InChIInChI=1S/C12H12N2O4S/c1-7-14-8(6-19-7)5-13-12(17)9-2-3-18-10(9)4-11(15)16/h2-3,6H,4-5H2,1H3,(H,13,17)(H,15,16)
InChIKeyKQRSYPYXOCEURM-UHFFFAOYSA-N
XLogP1.60
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 81311652
2-[2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]acetic acid
CID 62534041
3-fluoro-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 62660002
N-[(3-methylfuran-2-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 115652412
2-[3-(2-methylsulfonylethylcarbamoyl)furan-2-yl]acetic acid
CID 114217765
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 110717409
2-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]furan-2-yl]acetic acid
CID 114217757
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 108760187
4-amino-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282058
2-amino-4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 79723371
5-amino-2-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 103296222
2-bromo-5-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 113363237

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]furan-2-yl]acetic acid?
The IUPAC name of 2-[3-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]furan-2-yl]acetic acid (CID 114217782) is 2-[3-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]furan-2-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]furan-2-yl]acetic acid?
The canonical SMILES for 2-[3-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]furan-2-yl]acetic acid is Cc1nc(CNC(=O)c2ccoc2CC(=O)O)cs1.
What is the InChIKey of 2-[3-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]furan-2-yl]acetic acid?
The InChIKey is KQRSYPYXOCEURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-7-14-8(6-19-7)5-13-12(17)9-2-3-18-10(9)4-11(15)16/h2-3,6H,4-5H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[3-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]furan-2-yl]acetic acid?
2-[3-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]furan-2-yl]acetic acid has a molecular weight of 280.31 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]furan-2-yl]acetic acid is sourced from PubChem (CID 114217782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).