[2-(2-adamantylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

C18H24N2O3S — CID 8828195

IUPAC[2-(2-adamantylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCC(=O)NC2C3CC4CC(C3)CC2C4)s1
InChIInChI=1S/C18H24N2O3S/c1-9-17(24-10(2)19-9)18(22)23-8-15(21)20-16-13-4-11-3-12(6-13)7-14(16)5-11/h11-14,16H,3-8H2,1-2H3,(H,20,21)
InChIKeyODHDXACNJZNFAY-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.86
Rot. Bonds4

About [2-(2-adamantylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

[2-(2-adamantylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (PubChem CID 8828195) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is [2-(2-adamantylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-(2-adamantylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
PubChem CID8828195
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name[2-(2-adamantylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCC(=O)NC2C3CC4CC(C3)CC2C4)s1
InChIInChI=1S/C18H24N2O3S/c1-9-17(24-10(2)19-9)18(22)23-8-15(21)20-16-13-4-11-3-12(6-13)7-14(16)5-11/h11-14,16H,3-8H2,1-2H3,(H,20,21)
InChIKeyODHDXACNJZNFAY-UHFFFAOYSA-N
XLogP2.86
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-adamantylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-(2-adamantylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (CID 8828195) is [2-(2-adamantylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-(2-adamantylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-(2-adamantylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is Cc1nc(C)c(C(=O)OCC(=O)NC2C3CC4CC(C3)CC2C4)s1.
What is the InChIKey of [2-(2-adamantylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The InChIKey is ODHDXACNJZNFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-9-17(24-10(2)19-9)18(22)23-8-15(21)20-16-13-4-11-3-12(6-13)7-14(16)5-11/h11-14,16H,3-8H2,1-2H3,(H,20,21).
What are the key properties of [2-(2-adamantylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
[2-(2-adamantylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate has a molecular weight of 348.47 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-adamantylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 8828195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).