5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

C9H16ClN3S2 — CID 120900526

IUPAC5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC1CSCCN1Cc1cnc(N)s1.Cl
InChIInChI=1S/C9H15N3S2.ClH/c1-7-6-13-3-2-12(7)5-8-4-11-9(10)14-8;/h4,7H,2-3,5-6H2,1H3,(H2,10,11);1H
InChIKeyBJARJKRKYNMXEK-UHFFFAOYSA-N
MW265.83 g/mol
LogP2.08
Rot. Bonds2

About 5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120900526) has the molecular formula C9H16ClN3S2 and a molecular weight of 265.83 g/mol. Its IUPAC name is 5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120900526
Molecular FormulaC9H16ClN3S2
Molecular Weight265.83 g/mol
Exact Mass265.05
IUPAC Name5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC1CSCCN1Cc1cnc(N)s1.Cl
InChIInChI=1S/C9H15N3S2.ClH/c1-7-6-13-3-2-12(7)5-8-4-11-9(10)14-8;/h4,7H,2-3,5-6H2,1H3,(H2,10,11);1H
InChIKeyBJARJKRKYNMXEK-UHFFFAOYSA-N
XLogP2.08
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765812
5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79773868
5-[(3-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79772681
5-[[3-(4-chlorophenyl)thiomorpholin-4-yl]methyl]-1,3-thiazol-2-amine
CID 120900764
5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899926
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
3-methyl-4-(1,3-thiazol-5-ylmethyl)thiomorpholine
CID 130719595
5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 115882742
5-[(2,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 120900568
[1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidin-3-yl]methanol
CID 120903792
5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902676
5-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899430

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120900526) is 5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is CC1CSCCN1Cc1cnc(N)s1.Cl.
What is the InChIKey of 5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is BJARJKRKYNMXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S2.ClH/c1-7-6-13-3-2-12(7)5-8-4-11-9(10)14-8;/h4,7H,2-3,5-6H2,1H3,(H2,10,11);1H.
What are the key properties of 5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 265.83 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120900526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).