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

C12H10Cl2N2O4S — CID 1470289

IUPAC[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
SMILESC[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1ccco1
InChIInChI=1S/C12H10Cl2N2O4S/c1-6(11(17)15-5-7-3-2-4-19-7)20-12(18)9-8(13)10(14)21-16-9/h2-4,6H,5H2,1H3,(H,15,17)/t6-/m1/s1
InChIKeyXWFUUIKRNQMEEN-ZCFIWIBFSA-N
MW349.20 g/mol
LogP2.90
Rot. Bonds5

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

[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate (PubChem CID 1470289) has the molecular formula C12H10Cl2N2O4S and a molecular weight of 349.20 g/mol. Its IUPAC name is [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
PubChem CID1470289
Molecular FormulaC12H10Cl2N2O4S
Molecular Weight349.20 g/mol
Exact Mass347.97
IUPAC Name[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
SMILESC[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1ccco1
InChIInChI=1S/C12H10Cl2N2O4S/c1-6(11(17)15-5-7-3-2-4-19-7)20-12(18)9-8(13)10(14)21-16-9/h2-4,6H,5H2,1H3,(H,15,17)/t6-/m1/s1
InChIKeyXWFUUIKRNQMEEN-ZCFIWIBFSA-N
XLogP2.90
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

[1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 3220384
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 27197247
[(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
[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
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2,4-dichloro-5-fluorobenzoate
CID 8651727
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate
CID 7820560
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate
CID 30699194
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 7478024
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate
CID 29193764
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 8535095

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
The IUPAC name of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate (CID 1470289) is [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate.
What is the SMILES notation for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
The canonical SMILES for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate is C[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1ccco1.
What is the InChIKey of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
The InChIKey is XWFUUIKRNQMEEN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H10Cl2N2O4S/c1-6(11(17)15-5-7-3-2-4-19-7)20-12(18)9-8(13)10(14)21-16-9/h2-4,6H,5H2,1H3,(H,15,17)/t6-/m1/s1.
What are the key properties of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate has a molecular weight of 349.20 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate is sourced from PubChem (CID 1470289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).