[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone;hydrochloride

C16H24ClN3OS — CID 120625314

IUPAC[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone;hydrochloride
SMILESCl.NCCc1nc(C(=O)N2CC3CC4CC(C3)CC2C4)cs1
InChIInChI=1S/C16H23N3OS.ClH/c17-2-1-15-18-14(9-21-15)16(20)19-8-12-4-10-3-11(5-12)7-13(19)6-10;/h9-13H,1-8,17H2;1H
InChIKeyWRMICKMPLNTEIN-UHFFFAOYSA-N
MW341.91 g/mol
LogP2.72
Rot. Bonds3

About [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone;hydrochloride

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone;hydrochloride (PubChem CID 120625314) has the molecular formula C16H24ClN3OS and a molecular weight of 341.91 g/mol. Its IUPAC name is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone;hydrochloride
PubChem CID120625314
Molecular FormulaC16H24ClN3OS
Molecular Weight341.91 g/mol
Exact Mass341.13
IUPAC Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone;hydrochloride
SMILESCl.NCCc1nc(C(=O)N2CC3CC4CC(C3)CC2C4)cs1
InChIInChI=1S/C16H23N3OS.ClH/c17-2-1-15-18-14(9-21-15)16(20)19-8-12-4-10-3-11(5-12)7-13(19)6-10;/h9-13H,1-8,17H2;1H
InChIKeyWRMICKMPLNTEIN-UHFFFAOYSA-N
XLogP2.72
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.91
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2,6-dimethylazepan-1-yl)methanone;hydrochloride
CID 120634134
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 120633481
N-[4-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 71936201
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 120625539
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120624999
1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 66391047
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[(2S,3R)-2,3-dimethylpiperidin-1-yl]methanone
CID 124515136
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride
CID 120634912
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 120645469
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethylmorpholin-4-yl)methanone
CID 66390207
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81203835
N-(1-adamantyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66373028

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone;hydrochloride?
The IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone;hydrochloride (CID 120625314) is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone;hydrochloride?
The canonical SMILES for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone;hydrochloride is Cl.NCCc1nc(C(=O)N2CC3CC4CC(C3)CC2C4)cs1.
What is the InChIKey of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone;hydrochloride?
The InChIKey is WRMICKMPLNTEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS.ClH/c17-2-1-15-18-14(9-21-15)16(20)19-8-12-4-10-3-11(5-12)7-13(19)6-10;/h9-13H,1-8,17H2;1H.
What are the key properties of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone;hydrochloride?
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone;hydrochloride has a molecular weight of 341.91 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone;hydrochloride is sourced from PubChem (CID 120625314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).