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

C11H12N2O3S — CID 80570272

IUPAC2-[1-(furan-2-yl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC(C)c2ccco2)sc1C(=O)O
InChIInChI=1S/C11H12N2O3S/c1-6(8-4-3-5-16-8)12-11-13-7(2)9(17-11)10(14)15/h3-6H,1-2H3,(H,12,13)(H,14,15)
InChIKeyCOOBKVXOQSRSPU-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.92
Rot. Bonds4

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

2-[1-(furan-2-yl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 80570272) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-(furan-2-yl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID80570272
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name2-[1-(furan-2-yl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC(C)c2ccco2)sc1C(=O)O
InChIInChI=1S/C11H12N2O3S/c1-6(8-4-3-5-16-8)12-11-13-7(2)9(17-11)10(14)15/h3-6H,1-2H3,(H,12,13)(H,14,15)
InChIKeyCOOBKVXOQSRSPU-UHFFFAOYSA-N
XLogP2.92
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-chlorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569922
4-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80569880
2-[1-(2,4-dichlorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569495
2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 106347379
4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxylic acid
CID 28803701
2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569886
2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570034
2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 83969596
2-(hexan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570104
N-[4-[1-(furan-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 59874367
2-(carboxyoxyamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 141096674
1-[1-(furan-2-yl)ethylamino]isoquinoline-3-carboxylic acid
CID 43535819

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[1-(furan-2-yl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 80570272) is 2-[1-(furan-2-yl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-(furan-2-yl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[1-(furan-2-yl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(NC(C)c2ccco2)sc1C(=O)O.
What is the InChIKey of 2-[1-(furan-2-yl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is COOBKVXOQSRSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-6(8-4-3-5-16-8)12-11-13-7(2)9(17-11)10(14)15/h3-6H,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[1-(furan-2-yl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[1-(furan-2-yl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 252.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80570272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).