ethyl 4-methyl-2-[(1R)-1-[(3-methylfuran-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylate

C15H18N2O4S — CID 97100260

IUPACethyl 4-methyl-2-[(1R)-1-[(3-methylfuran-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc([C@@H](C)NC(=O)c2occc2C)nc1C
InChIInChI=1S/C15H18N2O4S/c1-5-20-15(19)12-9(3)17-14(22-12)10(4)16-13(18)11-8(2)6-7-21-11/h6-7,10H,5H2,1-4H3,(H,16,18)/t10-/m1/s1
InChIKeyWHBCZUQVWXQIAR-SNVBAGLBSA-N
MW322.39 g/mol
LogP3.02
Rot. Bonds5

About ethyl 4-methyl-2-[(1R)-1-[(3-methylfuran-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[(1R)-1-[(3-methylfuran-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylate (PubChem CID 97100260) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is ethyl 4-methyl-2-[(1R)-1-[(3-methylfuran-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[(1R)-1-[(3-methylfuran-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylate
PubChem CID97100260
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Nameethyl 4-methyl-2-[(1R)-1-[(3-methylfuran-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc([C@@H](C)NC(=O)c2occc2C)nc1C
InChIInChI=1S/C15H18N2O4S/c1-5-20-15(19)12-9(3)17-14(22-12)10(4)16-13(18)11-8(2)6-7-21-11/h6-7,10H,5H2,1-4H3,(H,16,18)/t10-/m1/s1
InChIKeyWHBCZUQVWXQIAR-SNVBAGLBSA-N
XLogP3.02
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-methyl-2-[(1R)-1-[(3-methylfuran-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

ethyl 4-methyl-2-[1-(3-phenylprop-2-ynoylamino)ethyl]-1,3-thiazole-5-carboxylate
CID 71921096
ethyl 4-methyl-2-[(1S)-1-(3-phenylprop-2-ynoylamino)ethyl]-1,3-thiazole-5-carboxylate
CID 97100257
ethyl 2-[1-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 71971529
ethyl 2-[1-[[N-[2-(furan-2-yl)ethyl]-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 110059108
ethyl 2-(1-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 146082192
ethyl 4-methyl-2-(3-methylbutan-2-yl)-1,3-thiazole-5-carboxylate
CID 142196617
ethyl 2-[1-[[N'-benzyl-N-[2-(furan-2-yl)ethyl]carbamimidoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 110059100
ethyl 2-(2-cyano-1,2-dihydroxyethyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 171870897
ethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate
CID 43408258
ethyl 2-[1-[(3-hydroxypyrrolidine-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 166369159
ethyl 2-[1-[[N-butan-2-yl-N'-[2-(dimethylamino)-2-oxoethyl]carbamimidoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 110046267
N-(1-amino-4-methylpentan-3-yl)-3-methylfuran-2-carboxamide
CID 106356722

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[(1R)-1-[(3-methylfuran-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[(1R)-1-[(3-methylfuran-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylate (CID 97100260) is ethyl 4-methyl-2-[(1R)-1-[(3-methylfuran-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[(1R)-1-[(3-methylfuran-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[(1R)-1-[(3-methylfuran-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc([C@@H](C)NC(=O)c2occc2C)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[(1R)-1-[(3-methylfuran-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylate?
The InChIKey is WHBCZUQVWXQIAR-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-5-20-15(19)12-9(3)17-14(22-12)10(4)16-13(18)11-8(2)6-7-21-11/h6-7,10H,5H2,1-4H3,(H,16,18)/t10-/m1/s1.
What are the key properties of ethyl 4-methyl-2-[(1R)-1-[(3-methylfuran-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[(1R)-1-[(3-methylfuran-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylate has a molecular weight of 322.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[(1R)-1-[(3-methylfuran-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 97100260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).