cycloheptyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate

C13H20N2O2S — CID 66373299

IUPACcycloheptyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate
SMILESNCCc1nc(C(=O)OC2CCCCCC2)cs1
InChIInChI=1S/C13H20N2O2S/c14-8-7-12-15-11(9-18-12)13(16)17-10-5-3-1-2-4-6-10/h9-10H,1-8,14H2
InChIKeyPENZZPVALUZXHJ-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.52
Rot. Bonds4

About cycloheptyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate

cycloheptyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate (PubChem CID 66373299) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is cycloheptyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namecycloheptyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate
PubChem CID66373299
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Namecycloheptyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate
SMILESNCCc1nc(C(=O)OC2CCCCCC2)cs1
InChIInChI=1S/C13H20N2O2S/c14-8-7-12-15-11(9-18-12)13(16)17-10-5-3-1-2-4-6-10/h9-10H,1-8,14H2
InChIKeyPENZZPVALUZXHJ-UHFFFAOYSA-N
XLogP2.52
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methylcyclohexyl) 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate
CID 66372916
2-(2-aminoethyl)-N-(2-cyclohexyloxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120625194
(3-methoxycyclohexyl) 2-(aminomethyl)-1,3-thiazole-4-carboxylate
CID 66380921
2-(2-aminoethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 66389102
cyclohexyl 2-phenyl-1,3-thiazole-4-carboxylate
CID 60599245
2-(2-aminoethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66388908
2-(2-aminoethyl)-N-(cyclopentylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66389758
3-methylbutyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate
CID 66373104
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(cyclohepten-1-yl)methanone
CID 106655474
2-(2-aminoethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120628332
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(cyclohexylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 120641312
1-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 120629970

Frequently Asked Questions

What is the IUPAC name of cycloheptyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of cycloheptyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate (CID 66373299) is cycloheptyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for cycloheptyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for cycloheptyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate is NCCc1nc(C(=O)OC2CCCCCC2)cs1.
What is the InChIKey of cycloheptyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is PENZZPVALUZXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c14-8-7-12-15-11(9-18-12)13(16)17-10-5-3-1-2-4-6-10/h9-10H,1-8,14H2.
What are the key properties of cycloheptyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate?
cycloheptyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 268.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 66373299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).