(3-methoxycyclohexyl) 2-(aminomethyl)-1,3-thiazole-4-carboxylate

C12H18N2O3S — CID 66380921

IUPAC(3-methoxycyclohexyl) 2-(aminomethyl)-1,3-thiazole-4-carboxylate
SMILESCOC1CCCC(OC(=O)c2csc(CN)n2)C1
InChIInChI=1S/C12H18N2O3S/c1-16-8-3-2-4-9(5-8)17-12(15)10-7-18-11(6-13)14-10/h7-9H,2-6,13H2,1H3
InChIKeyKYXWVGBVOZIWBF-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.72
Rot. Bonds4

About (3-methoxycyclohexyl) 2-(aminomethyl)-1,3-thiazole-4-carboxylate

(3-methoxycyclohexyl) 2-(aminomethyl)-1,3-thiazole-4-carboxylate (PubChem CID 66380921) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is (3-methoxycyclohexyl) 2-(aminomethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(3-methoxycyclohexyl) 2-(aminomethyl)-1,3-thiazole-4-carboxylate
PubChem CID66380921
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name(3-methoxycyclohexyl) 2-(aminomethyl)-1,3-thiazole-4-carboxylate
SMILESCOC1CCCC(OC(=O)c2csc(CN)n2)C1
InChIInChI=1S/C12H18N2O3S/c1-16-8-3-2-4-9(5-8)17-12(15)10-7-18-11(6-13)14-10/h7-9H,2-6,13H2,1H3
InChIKeyKYXWVGBVOZIWBF-UHFFFAOYSA-N
XLogP1.72
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methylcyclohexyl) 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate
CID 66372916
2-(aminomethyl)-N-(3-methoxycyclopentyl)-1,3-thiazole-4-carboxamide
CID 114118049
cycloheptyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate
CID 66373299
(3-methoxycyclohexyl) 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 78814618
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103532978
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methylcyclohexyl)methanone
CID 116585162
2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide
CID 115739589
ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71697793
(3-methoxycyclohexyl) 5-aminopyridine-2-carboxylate
CID 81317043
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate
CID 104562946
3-(2-methoxyethoxy)propyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate
CID 103403335
octyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate
CID 66379955

Frequently Asked Questions

What is the IUPAC name of (3-methoxycyclohexyl) 2-(aminomethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of (3-methoxycyclohexyl) 2-(aminomethyl)-1,3-thiazole-4-carboxylate (CID 66380921) is (3-methoxycyclohexyl) 2-(aminomethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (3-methoxycyclohexyl) 2-(aminomethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for (3-methoxycyclohexyl) 2-(aminomethyl)-1,3-thiazole-4-carboxylate is COC1CCCC(OC(=O)c2csc(CN)n2)C1.
What is the InChIKey of (3-methoxycyclohexyl) 2-(aminomethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is KYXWVGBVOZIWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-16-8-3-2-4-9(5-8)17-12(15)10-7-18-11(6-13)14-10/h7-9H,2-6,13H2,1H3.
What are the key properties of (3-methoxycyclohexyl) 2-(aminomethyl)-1,3-thiazole-4-carboxylate?
(3-methoxycyclohexyl) 2-(aminomethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycyclohexyl) 2-(aminomethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 66380921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).