[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate

C17H16N2O4S2 — CID 42885902

IUPAC[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccsc2)sc1C(=O)OC(C)C(=O)NCc1ccco1
InChIInChI=1S/C17H16N2O4S2/c1-10-14(25-16(19-10)12-5-7-24-9-12)17(21)23-11(2)15(20)18-8-13-4-3-6-22-13/h3-7,9,11H,8H2,1-2H3,(H,18,20)
InChIKeyMZKQZKVPJICYIE-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.63
Rot. Bonds6

About [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate

[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate (PubChem CID 42885902) has the molecular formula C17H16N2O4S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
PubChem CID42885902
Molecular FormulaC17H16N2O4S2
Molecular Weight376.46 g/mol
Exact Mass376.06
IUPAC Name[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccsc2)sc1C(=O)OC(C)C(=O)NCc1ccco1
InChIInChI=1S/C17H16N2O4S2/c1-10-14(25-16(19-10)12-5-7-24-9-12)17(21)23-11(2)15(20)18-8-13-4-3-6-22-13/h3-7,9,11H,8H2,1-2H3,(H,18,20)
InChIKeyMZKQZKVPJICYIE-UHFFFAOYSA-N
XLogP3.63
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(2-methylanilino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 46660296
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 46660459
[1-(N-methylanilino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 55427977
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 46544820
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 27197247
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 654796
N-(furan-2-ylmethyl)-4-methyl-2-thiophen-3-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 31834733
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8976657
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824755
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 9383883
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate
CID 29193764
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 7395243

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate (CID 42885902) is [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate is Cc1nc(-c2ccsc2)sc1C(=O)OC(C)C(=O)NCc1ccco1.
What is the InChIKey of [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate?
The InChIKey is MZKQZKVPJICYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S2/c1-10-14(25-16(19-10)12-5-7-24-9-12)17(21)23-11(2)15(20)18-8-13-4-3-6-22-13/h3-7,9,11H,8H2,1-2H3,(H,18,20).
What are the key properties of [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate?
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate has a molecular weight of 376.46 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 42885902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).