[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate

C14H18Cl2N2O4S — CID 1470305

IUPAC[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
SMILESCC(C)[C@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C14H18Cl2N2O4S/c1-7(2)11(13(19)17-6-8-4-3-5-21-8)22-14(20)10-9(15)12(16)23-18-10/h7-8,11H,3-6H2,1-2H3,(H,17,19)/t8-,11+/m1/s1
InChIKeyCCZMFGXGYJBMLG-KCJUWKMLSA-N
MW381.28 g/mol
LogP2.93
Rot. Bonds6

About [(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate

[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate (PubChem CID 1470305) has the molecular formula C14H18Cl2N2O4S and a molecular weight of 381.28 g/mol. Its IUPAC name is [(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate.

Molecular Properties

Compound Name[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
PubChem CID1470305
Molecular FormulaC14H18Cl2N2O4S
Molecular Weight381.28 g/mol
Exact Mass380.04
IUPAC Name[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
SMILESCC(C)[C@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C14H18Cl2N2O4S/c1-7(2)11(13(19)17-6-8-4-3-5-21-8)22-14(20)10-9(15)12(16)23-18-10/h7-8,11H,3-6H2,1-2H3,(H,17,19)/t8-,11+/m1/s1
InChIKeyCCZMFGXGYJBMLG-KCJUWKMLSA-N
XLogP2.93
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 3220362
[(2S)-3-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] 3-chloro-1-methylindole-2-carboxylate
CID 94829198
[(2R)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] 3-chloro-1-methylindole-2-carboxylate
CID 97311522
[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 1470332
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
4-amino-5-N-cyclopentyl-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,2-thiazole-3,5-dicarboxamide
CID 3174524
(2S)-2-(2,3-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42561363
2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17249245
3-methyl-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)butanamide
CID 110316787
[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl] thiophene-2-carboxylate
CID 1470109

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
The IUPAC name of [(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate (CID 1470305) is [(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate.
What is the SMILES notation for [(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
The canonical SMILES for [(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate is CC(C)[C@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC[C@H]1CCCO1.
What is the InChIKey of [(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
The InChIKey is CCZMFGXGYJBMLG-KCJUWKMLSA-N. The full InChI is InChI=1S/C14H18Cl2N2O4S/c1-7(2)11(13(19)17-6-8-4-3-5-21-8)22-14(20)10-9(15)12(16)23-18-10/h7-8,11H,3-6H2,1-2H3,(H,17,19)/t8-,11+/m1/s1.
What are the key properties of [(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate has a molecular weight of 381.28 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate is sourced from PubChem (CID 1470305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).