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

C16H22Cl2N2O3S — CID 1470315

IUPAC[(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
SMILESCC(C)C[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC1CCCCC1
InChIInChI=1S/C16H22Cl2N2O3S/c1-9(2)8-11(15(21)19-10-6-4-3-5-7-10)23-16(22)13-12(17)14(18)24-20-13/h9-11H,3-8H2,1-2H3,(H,19,21)/t11-/m1/s1
InChIKeyIQHVCHXRXFYVSX-LLVKDONJSA-N
MW393.34 g/mol
LogP4.47
Rot. Bonds6

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

[(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate (PubChem CID 1470315) has the molecular formula C16H22Cl2N2O3S and a molecular weight of 393.34 g/mol. Its IUPAC name is [(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
PubChem CID1470315
Molecular FormulaC16H22Cl2N2O3S
Molecular Weight393.34 g/mol
Exact Mass392.07
IUPAC Name[(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
SMILESCC(C)C[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC1CCCCC1
InChIInChI=1S/C16H22Cl2N2O3S/c1-9(2)8-11(15(21)19-10-6-4-3-5-7-10)23-16(22)13-12(17)14(18)24-20-13/h9-11H,3-8H2,1-2H3,(H,19,21)/t11-/m1/s1
InChIKeyIQHVCHXRXFYVSX-LLVKDONJSA-N
XLogP4.47
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 1470332
[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 3220362
[(2S)-1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 7409282
[(2S)-1-(2-methoxyethylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 7409280
[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 1470388
[(2R)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl] thiophene-2-carboxylate
CID 1470132
[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 1470305
[(2S)-1-(2-methylbutan-2-ylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 7409338
4,5-dichloro-N-[(1S)-2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-(4-ethoxyphenyl)-1,2-thiazole-3-carboxamide
CID 98101642
4,5-dichloro-N-[2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)-1,2-thiazole-3-carboxamide
CID 3197081
4,5-dichloro-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopentyl-1,2-thiazole-3-carboxamide
CID 3197070
[(2S)-1-(benzylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 1470335

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
The IUPAC name of [(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate (CID 1470315) is [(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate.
What is the SMILES notation for [(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
The canonical SMILES for [(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate is CC(C)C[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC1CCCCC1.
What is the InChIKey of [(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
The InChIKey is IQHVCHXRXFYVSX-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22Cl2N2O3S/c1-9(2)8-11(15(21)19-10-6-4-3-5-7-10)23-16(22)13-12(17)14(18)24-20-13/h9-11H,3-8H2,1-2H3,(H,19,21)/t11-/m1/s1.
What are the key properties of [(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
[(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate has a molecular weight of 393.34 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate is sourced from PubChem (CID 1470315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).