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

C15H16Cl2N2O4S — CID 3220384

IUPAC[1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
SMILESCC(C)CC(OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1ccco1
InChIInChI=1S/C15H16Cl2N2O4S/c1-8(2)6-10(14(20)18-7-9-4-3-5-22-9)23-15(21)12-11(16)13(17)24-19-12/h3-5,8,10H,6-7H2,1-2H3,(H,18,20)
InChIKeySOOVLYUFXWHQNE-UHFFFAOYSA-N
MW391.28 g/mol
LogP3.93
Rot. Bonds7

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

[1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate (PubChem CID 3220384) has the molecular formula C15H16Cl2N2O4S and a molecular weight of 391.28 g/mol. Its IUPAC name is [1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate.

Molecular Properties

Compound Name[1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
PubChem CID3220384
Molecular FormulaC15H16Cl2N2O4S
Molecular Weight391.28 g/mol
Exact Mass390.02
IUPAC Name[1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
SMILESCC(C)CC(OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1ccco1
InChIInChI=1S/C15H16Cl2N2O4S/c1-8(2)6-10(14(20)18-7-9-4-3-5-22-9)23-15(21)12-11(16)13(17)24-19-12/h3-5,8,10H,6-7H2,1-2H3,(H,18,20)
InChIKeySOOVLYUFXWHQNE-UHFFFAOYSA-N
XLogP3.93
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate with MolForge

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Related Compounds

[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 1470289
[(2S)-1-(benzylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 1470335
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
methyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 110351273
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 27197247
2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 19191627
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate
CID 7724166
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 7395243
(2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 110351223
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 654796
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5,6-dichloropyridine-3-carboxylate
CID 8021648
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
The IUPAC name of [1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate (CID 3220384) is [1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate.
What is the SMILES notation for [1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
The canonical SMILES for [1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate is CC(C)CC(OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1ccco1.
What is the InChIKey of [1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
The InChIKey is SOOVLYUFXWHQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O4S/c1-8(2)6-10(14(20)18-7-9-4-3-5-22-9)23-15(21)12-11(16)13(17)24-19-12/h3-5,8,10H,6-7H2,1-2H3,(H,18,20).
What are the key properties of [1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
[1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate has a molecular weight of 391.28 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate is sourced from PubChem (CID 3220384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).