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

C13H18N2O2S — CID 78916372

IUPACmethyl 2-(2-bicyclo[2.2.1]heptanylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC2CC3CCC2C3)nc1C
InChIInChI=1S/C13H18N2O2S/c1-7-11(12(16)17-2)18-13(14-7)15-10-6-8-3-4-9(10)5-8/h8-10H,3-6H2,1-2H3,(H,14,15)
InChIKeyHXNNXDBKRAXOHH-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.84
Rot. Bonds3

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

methyl 2-(2-bicyclo[2.2.1]heptanylamino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 78916372) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is methyl 2-(2-bicyclo[2.2.1]heptanylamino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-bicyclo[2.2.1]heptanylamino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID78916372
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Namemethyl 2-(2-bicyclo[2.2.1]heptanylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC2CC3CCC2C3)nc1C
InChIInChI=1S/C13H18N2O2S/c1-7-11(12(16)17-2)18-13(14-7)15-10-6-8-3-4-9(10)5-8/h8-10H,3-6H2,1-2H3,(H,14,15)
InChIKeyHXNNXDBKRAXOHH-UHFFFAOYSA-N
XLogP2.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

ethyl 2-(2-bicyclo[2.2.1]heptanylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526948
2-[[(2S)-2-bicyclo[2.2.1]heptanyl]amino]-5-methyl-1,3-thiazol-4-ol
CID 90793029
methyl 2-[(3-carbamoylcyclobutyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 154772076
methyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 80569907
(1R,2S,4S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11914236
methyl 2-(2,3-dihydro-1H-inden-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 107856348
methyl 4-chloro-2-[(2-cyclopropyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 113341175
methyl 4-chloro-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 80602834
methyl 4-methyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,3-thiazole-5-carboxylate
CID 80569213
methyl 2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 136573187
methyl 4-methyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-5-carboxylate
CID 80570343
N-(2-bicyclo[2.2.1]heptanyl)-5-methyl-1,3-thiazol-2-amine
CID 131209075

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bicyclo[2.2.1]heptanylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(2-bicyclo[2.2.1]heptanylamino)-4-methyl-1,3-thiazole-5-carboxylate (CID 78916372) is methyl 2-(2-bicyclo[2.2.1]heptanylamino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2-bicyclo[2.2.1]heptanylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(2-bicyclo[2.2.1]heptanylamino)-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC2CC3CCC2C3)nc1C.
What is the InChIKey of methyl 2-(2-bicyclo[2.2.1]heptanylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is HXNNXDBKRAXOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-7-11(12(16)17-2)18-13(14-7)15-10-6-8-3-4-9(10)5-8/h8-10H,3-6H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-(2-bicyclo[2.2.1]heptanylamino)-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-(2-bicyclo[2.2.1]heptanylamino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 266.37 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bicyclo[2.2.1]heptanylamino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 78916372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).