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

C10H16ClN3OS2 — CID 119774202

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylthiomorpholin-4-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2csc(CN)n2)CCS1.Cl
InChIInChI=1S/C10H15N3OS2.ClH/c1-7-5-13(2-3-15-7)10(14)8-6-16-9(4-11)12-8;/h6-7H,2-5,11H2,1H3;1H
InChIKeyLKHXABZLJCZJOR-UHFFFAOYSA-N
MW293.85 g/mol
LogP1.60
Rot. Bonds2

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

[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylthiomorpholin-4-yl)methanone;hydrochloride (PubChem CID 119774202) has the molecular formula C10H16ClN3OS2 and a molecular weight of 293.85 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylthiomorpholin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylthiomorpholin-4-yl)methanone;hydrochloride
PubChem CID119774202
Molecular FormulaC10H16ClN3OS2
Molecular Weight293.85 g/mol
Exact Mass293.04
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylthiomorpholin-4-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2csc(CN)n2)CCS1.Cl
InChIInChI=1S/C10H15N3OS2.ClH/c1-7-5-13(2-3-15-7)10(14)8-6-16-9(4-11)12-8;/h6-7H,2-5,11H2,1H3;1H
InChIKeyLKHXABZLJCZJOR-UHFFFAOYSA-N
XLogP1.60
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.85
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethylthiomorpholin-4-yl)methanone;hydrochloride
CID 119791769
[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-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 120625539
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]-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409151
(6-amino-2-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride
CID 119999097
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119869103
[2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 119807837

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylthiomorpholin-4-yl)methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylthiomorpholin-4-yl)methanone;hydrochloride (CID 119774202) is [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylthiomorpholin-4-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylthiomorpholin-4-yl)methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylthiomorpholin-4-yl)methanone;hydrochloride is CC1CN(C(=O)c2csc(CN)n2)CCS1.Cl.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylthiomorpholin-4-yl)methanone;hydrochloride?
The InChIKey is LKHXABZLJCZJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS2.ClH/c1-7-5-13(2-3-15-7)10(14)8-6-16-9(4-11)12-8;/h6-7H,2-5,11H2,1H3;1H.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylthiomorpholin-4-yl)methanone;hydrochloride?
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylthiomorpholin-4-yl)methanone;hydrochloride has a molecular weight of 293.85 g/mol, XLogP of 1.60, 2 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-methylthiomorpholin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119774202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).