ethyl 2-[ethyl(furan-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate

C13H16N2O3S — CID 80568223

IUPACethyl 2-[ethyl(furan-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N(CC)Cc2ccco2)n1
InChIInChI=1S/C13H16N2O3S/c1-3-15(8-10-6-5-7-18-10)13-14-11(9-19-13)12(16)17-4-2/h5-7,9H,3-4,8H2,1-2H3
InChIKeyNIOJDCYFGRWXLB-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.94
Rot. Bonds6

About ethyl 2-[ethyl(furan-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[ethyl(furan-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 80568223) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is ethyl 2-[ethyl(furan-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[ethyl(furan-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID80568223
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Nameethyl 2-[ethyl(furan-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N(CC)Cc2ccco2)n1
InChIInChI=1S/C13H16N2O3S/c1-3-15(8-10-6-5-7-18-10)13-14-11(9-19-13)12(16)17-4-2/h5-7,9H,3-4,8H2,1-2H3
InChIKeyNIOJDCYFGRWXLB-UHFFFAOYSA-N
XLogP2.94
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 80568795
ethyl 5-amino-2-[ethyl(furan-2-ylmethyl)amino]benzoate
CID 61421320
2-amino-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 62787665
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 46544768
ethyl 2-[[tert-butyl(furan-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42768154
ethyl 2-[methyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 80567825
ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate
CID 80568405
2-[ethyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568359
1-[2-[benzyl(ethyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64542419
ethyl 2-(N-benzyl-4-cyanoanilino)-1,3-thiazole-4-carboxylate
CID 135354127
6-[ethyl(furan-2-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 66456851
ethyl 2-[cyclopropylmethyl(propyl)amino]-1,3-thiazole-4-carboxylate
CID 80569174

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl(furan-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[ethyl(furan-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate (CID 80568223) is ethyl 2-[ethyl(furan-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[ethyl(furan-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[ethyl(furan-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(N(CC)Cc2ccco2)n1.
What is the InChIKey of ethyl 2-[ethyl(furan-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is NIOJDCYFGRWXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-3-15(8-10-6-5-7-18-10)13-14-11(9-19-13)12(16)17-4-2/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of ethyl 2-[ethyl(furan-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[ethyl(furan-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 280.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl(furan-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 80568223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).