methyl 2-[[cyclohexyl-[(2R)-2-ethylhexanoyl]amino]methyl]-1,3-thiazole-4-carboxylate

C20H32N2O3S — CID 7262156

IUPACmethyl 2-[[cyclohexyl-[(2R)-2-ethylhexanoyl]amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCCC[C@@H](CC)C(=O)N(Cc1nc(C(=O)OC)cs1)C1CCCCC1
InChIInChI=1S/C20H32N2O3S/c1-4-6-10-15(5-2)19(23)22(16-11-8-7-9-12-16)13-18-21-17(14-26-18)20(24)25-3/h14-16H,4-13H2,1-3H3/t15-/m1/s1
InChIKeyTZPAARRSUZLDQL-OAHLLOKOSA-N
MW380.55 g/mol
LogP4.81
Rot. Bonds9

About methyl 2-[[cyclohexyl-[(2R)-2-ethylhexanoyl]amino]methyl]-1,3-thiazole-4-carboxylate

methyl 2-[[cyclohexyl-[(2R)-2-ethylhexanoyl]amino]methyl]-1,3-thiazole-4-carboxylate (PubChem CID 7262156) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is methyl 2-[[cyclohexyl-[(2R)-2-ethylhexanoyl]amino]methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[cyclohexyl-[(2R)-2-ethylhexanoyl]amino]methyl]-1,3-thiazole-4-carboxylate
PubChem CID7262156
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC Namemethyl 2-[[cyclohexyl-[(2R)-2-ethylhexanoyl]amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCCC[C@@H](CC)C(=O)N(Cc1nc(C(=O)OC)cs1)C1CCCCC1
InChIInChI=1S/C20H32N2O3S/c1-4-6-10-15(5-2)19(23)22(16-11-8-7-9-12-16)13-18-21-17(14-26-18)20(24)25-3/h14-16H,4-13H2,1-3H3/t15-/m1/s1
InChIKeyTZPAARRSUZLDQL-OAHLLOKOSA-N
XLogP4.81
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[cyclohexyl-[(2R)-2-ethylhexanoyl]amino]methyl]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

ethyl 2-[[cyclohexyl-[(2R)-2-ethylhexanoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 7360649
methyl 2-[[cyclohexyl(cyclohexylcarbamoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 1196408
methyl 2-[[cyclobutanecarbonyl(cyclopropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 810957
methyl 2-[[cyclopropyl(3,3-dimethylbutanoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 810952
ethyl 2-[[[(2S)-2-ethylhexanoyl]-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate
CID 7495483
methyl 2-[[3-cyclopentylpropanoyl(cyclopropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42766827
methyl 2-[[cyclopropyl-(4-pentylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3992564
methyl 2-[[cyclohexyl-[(3,4-dichlorophenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 1196407
methyl 2-[[cyclohexyl-[(2,3-dimethylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 5039484
methyl 2-[[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 42766896
methyl 2-[[cyclopropanecarbonyl(pentyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42766747
methyl 2-[[tert-butyl(cyclohexylcarbamoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42766899

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[cyclohexyl-[(2R)-2-ethylhexanoyl]amino]methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[[cyclohexyl-[(2R)-2-ethylhexanoyl]amino]methyl]-1,3-thiazole-4-carboxylate (CID 7262156) is methyl 2-[[cyclohexyl-[(2R)-2-ethylhexanoyl]amino]methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[cyclohexyl-[(2R)-2-ethylhexanoyl]amino]methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[[cyclohexyl-[(2R)-2-ethylhexanoyl]amino]methyl]-1,3-thiazole-4-carboxylate is CCCC[C@@H](CC)C(=O)N(Cc1nc(C(=O)OC)cs1)C1CCCCC1.
What is the InChIKey of methyl 2-[[cyclohexyl-[(2R)-2-ethylhexanoyl]amino]methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is TZPAARRSUZLDQL-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-4-6-10-15(5-2)19(23)22(16-11-8-7-9-12-16)13-18-21-17(14-26-18)20(24)25-3/h14-16H,4-13H2,1-3H3/t15-/m1/s1.
What are the key properties of methyl 2-[[cyclohexyl-[(2R)-2-ethylhexanoyl]amino]methyl]-1,3-thiazole-4-carboxylate?
methyl 2-[[cyclohexyl-[(2R)-2-ethylhexanoyl]amino]methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 380.55 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[cyclohexyl-[(2R)-2-ethylhexanoyl]amino]methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 7262156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).