[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethylthiomorpholin-4-yl)methanone;hydrochloride

C11H18ClN3OS2 — CID 119791769

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethylthiomorpholin-4-yl)methanone;hydrochloride
SMILESCCC1CN(C(=O)c2csc(CN)n2)CCS1.Cl
InChIInChI=1S/C11H17N3OS2.ClH/c1-2-8-6-14(3-4-16-8)11(15)9-7-17-10(5-12)13-9;/h7-8H,2-6,12H2,1H3;1H
InChIKeyMGVUOLKOVGZQJA-UHFFFAOYSA-N
MW307.87 g/mol
LogP1.99
Rot. Bonds3

About [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethylthiomorpholin-4-yl)methanone;hydrochloride

[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethylthiomorpholin-4-yl)methanone;hydrochloride (PubChem CID 119791769) has the molecular formula C11H18ClN3OS2 and a molecular weight of 307.87 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethylthiomorpholin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethylthiomorpholin-4-yl)methanone;hydrochloride
PubChem CID119791769
Molecular FormulaC11H18ClN3OS2
Molecular Weight307.87 g/mol
Exact Mass307.06
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethylthiomorpholin-4-yl)methanone;hydrochloride
SMILESCCC1CN(C(=O)c2csc(CN)n2)CCS1.Cl
InChIInChI=1S/C11H17N3OS2.ClH/c1-2-8-6-14(3-4-16-8)11(15)9-7-17-10(5-12)13-9;/h7-8H,2-6,12H2,1H3;1H
InChIKeyMGVUOLKOVGZQJA-UHFFFAOYSA-N
XLogP1.99
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylthiomorpholin-4-yl)methanone;hydrochloride
CID 119774202
[2-(aminomethyl)-1,3-thiazol-4-yl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220790
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 66379644
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103532978
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409151
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119791905
N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 113402246
[2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride
CID 119807836
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4,4-diethylpiperidin-1-yl)methanone
CID 66379253
(2-ethylthiomorpholin-4-yl)-(2H-triazol-4-yl)methanone
CID 115661612
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethoxypiperidin-1-yl)methanone
CID 66375737
1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 119763251

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethylthiomorpholin-4-yl)methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethylthiomorpholin-4-yl)methanone;hydrochloride (CID 119791769) is [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethylthiomorpholin-4-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethylthiomorpholin-4-yl)methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethylthiomorpholin-4-yl)methanone;hydrochloride is CCC1CN(C(=O)c2csc(CN)n2)CCS1.Cl.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethylthiomorpholin-4-yl)methanone;hydrochloride?
The InChIKey is MGVUOLKOVGZQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS2.ClH/c1-2-8-6-14(3-4-16-8)11(15)9-7-17-10(5-12)13-9;/h7-8H,2-6,12H2,1H3;1H.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethylthiomorpholin-4-yl)methanone;hydrochloride?
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethylthiomorpholin-4-yl)methanone;hydrochloride has a molecular weight of 307.87 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethylthiomorpholin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119791769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).