(4R,5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-[(4-methyl-1,3-thiazol-2-yl)amino]oxolan-2-one

C18H28N2O3S — CID 139059526

IUPAC(4R,5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-[(4-methyl-1,3-thiazol-2-yl)amino]oxolan-2-one
SMILESCc1csc(N[C@@H]2CC(=O)O[C@H]2O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1
InChIInChI=1S/C18H28N2O3S/c1-10(2)13-6-5-11(3)7-15(13)22-17-14(8-16(21)23-17)20-18-19-12(4)9-24-18/h9-11,13-15,17H,5-8H2,1-4H3,(H,19,20)/t11-,13+,14-,15-,17-/m1/s1
InChIKeyAMEVZWTZJXCATL-IYXSBWJKSA-N
MW352.50 g/mol
LogP3.98
Rot. Bonds5

About (4R,5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-[(4-methyl-1,3-thiazol-2-yl)amino]oxolan-2-one

(4R,5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-[(4-methyl-1,3-thiazol-2-yl)amino]oxolan-2-one (PubChem CID 139059526) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is (4R,5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-[(4-methyl-1,3-thiazol-2-yl)amino]oxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-[(4-methyl-1,3-thiazol-2-yl)amino]oxolan-2-one
PubChem CID139059526
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name(4R,5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-[(4-methyl-1,3-thiazol-2-yl)amino]oxolan-2-one
SMILESCc1csc(N[C@@H]2CC(=O)O[C@H]2O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1
InChIInChI=1S/C18H28N2O3S/c1-10(2)13-6-5-11(3)7-15(13)22-17-14(8-16(21)23-17)20-18-19-12(4)9-24-18/h9-11,13-15,17H,5-8H2,1-4H3,(H,19,20)/t11-,13+,14-,15-,17-/m1/s1
InChIKeyAMEVZWTZJXCATL-IYXSBWJKSA-N
XLogP3.98
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R,5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-[(4-methyl-1,3-thiazol-2-yl)amino]oxolan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4R,5R)-4-butoxy-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
CID 15444780
ethyl 2-[(2R,3R)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxooxolan-3-yl]-2-oxoacetate
CID 15444778
ethyl (2Z)-2-cyclopentyloxyimino-2-[(2R,3S)-2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxooxolan-3-yl]acetate
CID 10502411
(2S)-1-[(2S)-2-[(4-hydroxy-3,5-dimethylbenzoyl)amino]propanoyl]-N-[2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide
CID 71031878
(2R)-4-chloro-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one
CID 102241496
(2S)-2-[(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one
CID 57325346
(2R)-2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one
CID 12889153
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
(4S,5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-[(2S)-1-prop-2-enylpyrrolidin-2-yl]oxolan-2-one
CID 10784009
N-(2,3-dimethylcyclopentyl)-4-methyl-1,3-thiazol-2-amine
CID 64922035
5-(5-methyl-2-propan-2-ylcyclohexyl)oxy-4-oxatricyclo[5.2.1.02,6]dec-1(9)-en-3-one
CID 70609815
3,4-dichloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2H-furan-5-one
CID 4049586

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-[(4-methyl-1,3-thiazol-2-yl)amino]oxolan-2-one?
The IUPAC name of (4R,5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-[(4-methyl-1,3-thiazol-2-yl)amino]oxolan-2-one (CID 139059526) is (4R,5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-[(4-methyl-1,3-thiazol-2-yl)amino]oxolan-2-one.
What is the SMILES notation for (4R,5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-[(4-methyl-1,3-thiazol-2-yl)amino]oxolan-2-one?
The canonical SMILES for (4R,5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-[(4-methyl-1,3-thiazol-2-yl)amino]oxolan-2-one is Cc1csc(N[C@@H]2CC(=O)O[C@H]2O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1.
What is the InChIKey of (4R,5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-[(4-methyl-1,3-thiazol-2-yl)amino]oxolan-2-one?
The InChIKey is AMEVZWTZJXCATL-IYXSBWJKSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-10(2)13-6-5-11(3)7-15(13)22-17-14(8-16(21)23-17)20-18-19-12(4)9-24-18/h9-11,13-15,17H,5-8H2,1-4H3,(H,19,20)/t11-,13+,14-,15-,17-/m1/s1.
What are the key properties of (4R,5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-[(4-methyl-1,3-thiazol-2-yl)amino]oxolan-2-one?
(4R,5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-[(4-methyl-1,3-thiazol-2-yl)amino]oxolan-2-one has a molecular weight of 352.50 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-[(4-methyl-1,3-thiazol-2-yl)amino]oxolan-2-one is sourced from PubChem (CID 139059526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).