methyl 2-(adamantane-1-carbonylamino)-1,3-thiazole-5-carboxylate

C16H20N2O3S — CID 39725183

IUPACmethyl 2-(adamantane-1-carbonylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C16H20N2O3S/c1-21-13(19)12-8-17-15(22-12)18-14(20)16-5-9-2-10(6-16)4-11(3-9)7-16/h8-11H,2-7H2,1H3,(H,17,18,20)
InChIKeyFLFHELFRHAGPEG-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.08
Rot. Bonds3

About methyl 2-(adamantane-1-carbonylamino)-1,3-thiazole-5-carboxylate

methyl 2-(adamantane-1-carbonylamino)-1,3-thiazole-5-carboxylate (PubChem CID 39725183) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is methyl 2-(adamantane-1-carbonylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(adamantane-1-carbonylamino)-1,3-thiazole-5-carboxylate
PubChem CID39725183
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Namemethyl 2-(adamantane-1-carbonylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C16H20N2O3S/c1-21-13(19)12-8-17-15(22-12)18-14(20)16-5-9-2-10(6-16)4-11(3-9)7-16/h8-11H,2-7H2,1H3,(H,17,18,20)
InChIKeyFLFHELFRHAGPEG-UHFFFAOYSA-N
XLogP3.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(adamantane-1-carbonylamino)-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(adamantane-1-carbonylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(adamantane-1-carbonylamino)-1,3-thiazole-5-carboxylate (CID 39725183) is methyl 2-(adamantane-1-carbonylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(adamantane-1-carbonylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(adamantane-1-carbonylamino)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1.
What is the InChIKey of methyl 2-(adamantane-1-carbonylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is FLFHELFRHAGPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-21-13(19)12-8-17-15(22-12)18-14(20)16-5-9-2-10(6-16)4-11(3-9)7-16/h8-11H,2-7H2,1H3,(H,17,18,20).
What are the key properties of methyl 2-(adamantane-1-carbonylamino)-1,3-thiazole-5-carboxylate?
methyl 2-(adamantane-1-carbonylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 320.41 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(adamantane-1-carbonylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 39725183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).