methyl 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate

C15H20N2O3S — CID 115904944

IUPACmethyl 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCCc1cnc(C(C)NCc2cc(C(=O)OC)c(C)o2)s1
InChIInChI=1S/C15H20N2O3S/c1-5-12-8-17-14(21-12)9(2)16-7-11-6-13(10(3)20-11)15(18)19-4/h6,8-9,16H,5,7H2,1-4H3
InChIKeyXRPIFHSGRSKRQM-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.24
Rot. Bonds6

About methyl 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 115904944) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is methyl 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate
PubChem CID115904944
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Namemethyl 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCCc1cnc(C(C)NCc2cc(C(=O)OC)c(C)o2)s1
InChIInChI=1S/C15H20N2O3S/c1-5-12-8-17-14(21-12)9(2)16-7-11-6-13(10(3)20-11)15(18)19-4/h6,8-9,16H,5,7H2,1-4H3
InChIKeyXRPIFHSGRSKRQM-UHFFFAOYSA-N
XLogP3.24
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 86779546
N-(furan-2-ylmethyl)-2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetamide
CID 86789744
Methyl 5-[[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 56085175
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
CID 115679702
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115680199
2-Methyl-5-[[[5-(trifluoromethyl)-1,3-thiazole-4-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 121907102
[5-(Aminomethyl)-2-methylfuran-3-yl]-(1,3-thiazol-2-yl)methanone
CID 67964674
Methyl 2-methyl-5-[[(2-methyl-1,3-thiazole-5-carbonyl)amino]methyl]furan-3-carboxylate
CID 51101396
1-(furan-2-yl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 53271712
N-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 53272209
1-(furan-2-yl)-N-[[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272397
1-(furan-2-yl)-N-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272506

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate (CID 115904944) is methyl 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate is CCc1cnc(C(C)NCc2cc(C(=O)OC)c(C)o2)s1.
What is the InChIKey of methyl 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is XRPIFHSGRSKRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-5-12-8-17-14(21-12)9(2)16-7-11-6-13(10(3)20-11)15(18)19-4/h6,8-9,16H,5,7H2,1-4H3.
What are the key properties of methyl 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 308.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 115904944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).