ethyl 2-(1-adamantylcarbamoylamino)-1,3-thiazole-5-carboxylate

C17H23N3O3S — CID 25225457

IUPACethyl 2-(1-adamantylcarbamoylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(=O)NC23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C17H23N3O3S/c1-2-23-14(21)13-9-18-16(24-13)19-15(22)20-17-6-10-3-11(7-17)5-12(4-10)8-17/h9-12H,2-8H2,1H3,(H2,18,19,20,22)
InChIKeyLHDZMNJGIYCLNL-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.41
Rot. Bonds4

About ethyl 2-(1-adamantylcarbamoylamino)-1,3-thiazole-5-carboxylate

ethyl 2-(1-adamantylcarbamoylamino)-1,3-thiazole-5-carboxylate (PubChem CID 25225457) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is ethyl 2-(1-adamantylcarbamoylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-adamantylcarbamoylamino)-1,3-thiazole-5-carboxylate
PubChem CID25225457
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Nameethyl 2-(1-adamantylcarbamoylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(=O)NC23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C17H23N3O3S/c1-2-23-14(21)13-9-18-16(24-13)19-15(22)20-17-6-10-3-11(7-17)5-12(4-10)8-17/h9-12H,2-8H2,1H3,(H2,18,19,20,22)
InChIKeyLHDZMNJGIYCLNL-UHFFFAOYSA-N
XLogP3.41
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(1-adamantylamino)-1,3-thiazole-5-carboxylate
CID 10979704
2-(1-Adamantylcarbamoylamino)-1,3-thiazole-5-carboxylic acid
CID 25225458
2-(Adamantane-1-carbonylimino)-2,3-dihydro-thiazole-5-carboxylic acid methyl ester
CID 39725183
Methyl 2-[[cyclohexyl-(4-methylcyclohexyl)carbamoyl]amino]-1,3-thiazole-5-carboxylate
CID 57883872
2-[1-Adamantyl(carbamoyl)amino]-1,3-thiazole-5-carboxylic acid
CID 68918617
Ethyl 2-[1-adamantyl(carbamoyl)amino]-1,3-thiazole-5-carboxylate
CID 68921150
ethyl 2-[[1-[[(2S)-2-methylcyclopropyl]methyl]cyclopropyl]carbamoylamino]-1,3-thiazole-5-carboxylate
CID 89200522
ethyl 2-[3-[[(2S)-2-methylcyclopropyl]methyl]pentan-3-ylcarbamoylamino]-1,3-thiazole-5-carboxylate
CID 89200543
1,4-Dimethylcyclohexane;methyl 2-acetamido-1,3-thiazole-5-carboxylate;methylcyclohexane
CID 143074900
Methyl 2-[(3-chloroadamantane-1-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 17391984
Methyl 2-(cyclohexanecarbonylamino)-1,3-thiazole-5-carboxylate
CID 18103561
Methyl 2-[[2-(1-adamantyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103566

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-adamantylcarbamoylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(1-adamantylcarbamoylamino)-1,3-thiazole-5-carboxylate (CID 25225457) is ethyl 2-(1-adamantylcarbamoylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(1-adamantylcarbamoylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(1-adamantylcarbamoylamino)-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(NC(=O)NC23CC4CC(CC(C4)C2)C3)s1.
What is the InChIKey of ethyl 2-(1-adamantylcarbamoylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is LHDZMNJGIYCLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-2-23-14(21)13-9-18-16(24-13)19-15(22)20-17-6-10-3-11(7-17)5-12(4-10)8-17/h9-12H,2-8H2,1H3,(H2,18,19,20,22).
What are the key properties of ethyl 2-(1-adamantylcarbamoylamino)-1,3-thiazole-5-carboxylate?
ethyl 2-(1-adamantylcarbamoylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 349.46 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-adamantylcarbamoylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 25225457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).