[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate

C20H23N3O4S — CID 8617906

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccccc2)c(C(=O)OCC(=O)NC(=O)NC2CCCCC2)s1
InChIInChI=1S/C20H23N3O4S/c1-13-21-17(14-8-4-2-5-9-14)18(28-13)19(25)27-12-16(24)23-20(26)22-15-10-6-3-7-11-15/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3,(H2,22,23,24,26)
InChIKeySVQJJFGJIWTXFH-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.43
Rot. Bonds5

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 8617906) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID8617906
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccccc2)c(C(=O)OCC(=O)NC(=O)NC2CCCCC2)s1
InChIInChI=1S/C20H23N3O4S/c1-13-21-17(14-8-4-2-5-9-14)18(28-13)19(25)27-12-16(24)23-20(26)22-15-10-6-3-7-11-15/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3,(H2,22,23,24,26)
InChIKeySVQJJFGJIWTXFH-UHFFFAOYSA-N
XLogP3.43
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8618474
[2-oxo-2-(propylamino)ethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617909
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2451959
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617698
[2-(2-methoxyethylamino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617788
[2-(2,6-diethylanilino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617601
[2-(2-fluoroanilino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617683
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617430
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617500
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135419
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2634417
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8919629

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate (CID 8617906) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate is Cc1nc(-c2ccccc2)c(C(=O)OCC(=O)NC(=O)NC2CCCCC2)s1.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is SVQJJFGJIWTXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-13-21-17(14-8-4-2-5-9-14)18(28-13)19(25)27-12-16(24)23-20(26)22-15-10-6-3-7-11-15/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3,(H2,22,23,24,26).
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 401.49 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 8617906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).