methyl 2-(2-adamantyl)-5-amino-1,3-thiazole-4-carboxylate

C15H20N2O2S — CID 103199638

IUPACmethyl 2-(2-adamantyl)-5-amino-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C2C3CC4CC(C3)CC2C4)sc1N
InChIInChI=1S/C15H20N2O2S/c1-19-15(18)12-13(16)20-14(17-12)11-9-3-7-2-8(5-9)6-10(11)4-7/h7-11H,2-6,16H2,1H3
InChIKeyHRXLHFUHSOCABP-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.05
Rot. Bonds2

About methyl 2-(2-adamantyl)-5-amino-1,3-thiazole-4-carboxylate

methyl 2-(2-adamantyl)-5-amino-1,3-thiazole-4-carboxylate (PubChem CID 103199638) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is methyl 2-(2-adamantyl)-5-amino-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-adamantyl)-5-amino-1,3-thiazole-4-carboxylate
PubChem CID103199638
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Namemethyl 2-(2-adamantyl)-5-amino-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C2C3CC4CC(C3)CC2C4)sc1N
InChIInChI=1S/C15H20N2O2S/c1-19-15(18)12-13(16)20-14(17-12)11-9-3-7-2-8(5-9)6-10(11)4-7/h7-11H,2-6,16H2,1H3
InChIKeyHRXLHFUHSOCABP-UHFFFAOYSA-N
XLogP3.05
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-2-cyclooctyl-1,3-thiazole-4-carboxylate
CID 103199596
methyl 5-amino-2-(2-phenylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 103199626
methyl 5-amino-2-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxylate
CID 103199795
methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate
CID 74890602
methyl 5-amino-2-(1-methylcyclopentyl)-1,3-thiazole-4-carboxylate
CID 103199747
methyl 5-amino-2-(cyclohexylmethyl)-1,3-thiazole-4-carboxylate
CID 103199691
methyl 5-methyl-2-(2-methylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 115422925
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 103199632
5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylic acid
CID 83703476
methyl 5-amino-2-(3-fluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199640
methyl 5-amino-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 103199710

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-adamantyl)-5-amino-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(2-adamantyl)-5-amino-1,3-thiazole-4-carboxylate (CID 103199638) is methyl 2-(2-adamantyl)-5-amino-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2-adamantyl)-5-amino-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(2-adamantyl)-5-amino-1,3-thiazole-4-carboxylate is COC(=O)c1nc(C2C3CC4CC(C3)CC2C4)sc1N.
What is the InChIKey of methyl 2-(2-adamantyl)-5-amino-1,3-thiazole-4-carboxylate?
The InChIKey is HRXLHFUHSOCABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-19-15(18)12-13(16)20-14(17-12)11-9-3-7-2-8(5-9)6-10(11)4-7/h7-11H,2-6,16H2,1H3.
What are the key properties of methyl 2-(2-adamantyl)-5-amino-1,3-thiazole-4-carboxylate?
methyl 2-(2-adamantyl)-5-amino-1,3-thiazole-4-carboxylate has a molecular weight of 292.40 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-adamantyl)-5-amino-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 103199638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).