5-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]-2-methylfuran-3-carboxylic acid

C12H14N2O3S — CID 62962247

IUPAC5-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCCc1csc(NCc2cc(C(=O)O)c(C)o2)n1
InChIInChI=1S/C12H14N2O3S/c1-3-8-6-18-12(14-8)13-5-9-4-10(11(15)16)7(2)17-9/h4,6H,3,5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyDOVJMBHMYRFDQP-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.92
Rot. Bonds5

About 5-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]-2-methylfuran-3-carboxylic acid

5-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 62962247) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID62962247
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name5-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCCc1csc(NCc2cc(C(=O)O)c(C)o2)n1
InChIInChI=1S/C12H14N2O3S/c1-3-8-6-18-12(14-8)13-5-9-4-10(11(15)16)7(2)17-9/h4,6H,3,5H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyDOVJMBHMYRFDQP-UHFFFAOYSA-N
XLogP2.92
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 65270189
2-methyl-5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]furan-3-carboxylic acid
CID 107304292
2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid
CID 62960794
5-[(4-ethylanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 103235795
4-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methylbenzoic acid
CID 62963351
2-methyl-5-[(2-methylbutan-2-ylamino)methyl]furan-3-carboxylic acid
CID 103230898
2-methyl-5-[[(6-methylpyridazin-3-yl)amino]methyl]furan-3-carboxylic acid
CID 114989475
2-methyl-5-[[(3-methylpyrazin-2-yl)amino]methyl]furan-3-carboxylic acid
CID 83063021
2-methyl-5-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid
CID 63826285
2-methyl-5-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]furan-3-carboxylic acid
CID 102685941
5-[(2,6-dibromo-4-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 103236805
2-methyl-5-[(2,4,5-trifluoroanilino)methyl]furan-3-carboxylic acid
CID 103249556

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]-2-methylfuran-3-carboxylic acid (CID 62962247) is 5-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]-2-methylfuran-3-carboxylic acid is CCc1csc(NCc2cc(C(=O)O)c(C)o2)n1.
What is the InChIKey of 5-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is DOVJMBHMYRFDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-3-8-6-18-12(14-8)13-5-9-4-10(11(15)16)7(2)17-9/h4,6H,3,5H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 5-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 266.32 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 62962247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).