ethyl 2-(1-aminocycloheptyl)-5-methyl-1,3-thiazole-4-carboxylate

C14H22N2O2S — CID 116527165

IUPACethyl 2-(1-aminocycloheptyl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2(N)CCCCCC2)sc1C
InChIInChI=1S/C14H22N2O2S/c1-3-18-12(17)11-10(2)19-13(16-11)14(15)8-6-4-5-7-9-14/h3-9,15H2,1-2H3
InChIKeyKUHZIAJABBWBDM-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.14
Rot. Bonds3

About ethyl 2-(1-aminocycloheptyl)-5-methyl-1,3-thiazole-4-carboxylate

ethyl 2-(1-aminocycloheptyl)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 116527165) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is ethyl 2-(1-aminocycloheptyl)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-aminocycloheptyl)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID116527165
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Nameethyl 2-(1-aminocycloheptyl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2(N)CCCCCC2)sc1C
InChIInChI=1S/C14H22N2O2S/c1-3-18-12(17)11-10(2)19-13(16-11)14(15)8-6-4-5-7-9-14/h3-9,15H2,1-2H3
InChIKeyKUHZIAJABBWBDM-UHFFFAOYSA-N
XLogP3.14
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116744473
ethyl 5-methyl-2-(1-phenylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 116526208
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61337483
ethyl 2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116744479
1-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 61338247
methyl 2-(1-aminocycloheptyl)-4-propyl-1,3-thiazole-5-carboxylate
CID 114358543
ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate
CID 53302340
ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate
CID 145143337
2-(1-aminocycloheptyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104840677
1-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine
CID 61338855
ethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
CID 116526179
ethyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 105420733

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-aminocycloheptyl)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(1-aminocycloheptyl)-5-methyl-1,3-thiazole-4-carboxylate (CID 116527165) is ethyl 2-(1-aminocycloheptyl)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(1-aminocycloheptyl)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(1-aminocycloheptyl)-5-methyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C2(N)CCCCCC2)sc1C.
What is the InChIKey of ethyl 2-(1-aminocycloheptyl)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is KUHZIAJABBWBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-18-12(17)11-10(2)19-13(16-11)14(15)8-6-4-5-7-9-14/h3-9,15H2,1-2H3.
What are the key properties of ethyl 2-(1-aminocycloheptyl)-5-methyl-1,3-thiazole-4-carboxylate?
ethyl 2-(1-aminocycloheptyl)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 282.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-aminocycloheptyl)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116527165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).