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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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).