ethyl 5-(2-bicyclo[2.2.1]heptanylamino)-3-methyl-1,2-thiazole-4-carboxylate

C14H20N2O2S — CID 79364490

IUPACethyl 5-(2-bicyclo[2.2.1]heptanylamino)-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NC1CC2CCC1C2
InChIInChI=1S/C14H20N2O2S/c1-3-18-14(17)12-8(2)16-19-13(12)15-11-7-9-4-5-10(11)6-9/h9-11,15H,3-7H2,1-2H3
InChIKeyGFGRATOJKBLMFL-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.23
Rot. Bonds4

About ethyl 5-(2-bicyclo[2.2.1]heptanylamino)-3-methyl-1,2-thiazole-4-carboxylate

ethyl 5-(2-bicyclo[2.2.1]heptanylamino)-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 79364490) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is ethyl 5-(2-bicyclo[2.2.1]heptanylamino)-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-bicyclo[2.2.1]heptanylamino)-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID79364490
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Nameethyl 5-(2-bicyclo[2.2.1]heptanylamino)-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NC1CC2CCC1C2
InChIInChI=1S/C14H20N2O2S/c1-3-18-14(17)12-8(2)16-19-13(12)15-11-7-9-4-5-10(11)6-9/h9-11,15H,3-7H2,1-2H3
InChIKeyGFGRATOJKBLMFL-UHFFFAOYSA-N
XLogP3.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375572
ethyl 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375806
ethyl 5-(cyclopropylmethylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375895
5-N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxy-1,2-thiazole-3,5-diamine
CID 103359681
ethyl 2-(2-bicyclo[2.2.1]heptanylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526948
ethyl 5-(cyclohexanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 6470295
5-(2-bicyclo[2.2.1]heptanylamino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79376069
ethyl 3-amino-5-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,2-thiazole-4-carboxylate
CID 103383522
ethyl 2-(2-bicyclo[2.2.1]heptanylamino)benzoate
CID 63423536
ethyl 2-(bicyclo[2.2.1]heptane-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 3481646
ethyl 3-methyl-5-(oxan-3-ylmethylamino)-1,2-thiazole-4-carboxylate
CID 79364480
ethyl 5-(3-ethoxypropylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79376446

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-bicyclo[2.2.1]heptanylamino)-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-bicyclo[2.2.1]heptanylamino)-3-methyl-1,2-thiazole-4-carboxylate (CID 79364490) is ethyl 5-(2-bicyclo[2.2.1]heptanylamino)-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-bicyclo[2.2.1]heptanylamino)-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-bicyclo[2.2.1]heptanylamino)-3-methyl-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1NC1CC2CCC1C2.
What is the InChIKey of ethyl 5-(2-bicyclo[2.2.1]heptanylamino)-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is GFGRATOJKBLMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-18-14(17)12-8(2)16-19-13(12)15-11-7-9-4-5-10(11)6-9/h9-11,15H,3-7H2,1-2H3.
What are the key properties of ethyl 5-(2-bicyclo[2.2.1]heptanylamino)-3-methyl-1,2-thiazole-4-carboxylate?
ethyl 5-(2-bicyclo[2.2.1]heptanylamino)-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 280.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-bicyclo[2.2.1]heptanylamino)-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 79364490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).