5-[[ethyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride

C9H18ClN3O2S2 — CID 120901421

IUPAC5-[[ethyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCCN(CCS(C)(=O)=O)Cc1cnc(N)s1.Cl
InChIInChI=1S/C9H17N3O2S2.ClH/c1-3-12(4-5-16(2,13)14)7-8-6-11-9(10)15-8;/h6H,3-5,7H2,1-2H3,(H2,10,11);1H
InChIKeyXSRVMQYHXMYMPJ-UHFFFAOYSA-N
MW299.85 g/mol
LogP1.01
Rot. Bonds6

About 5-[[ethyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[ethyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120901421) has the molecular formula C9H18ClN3O2S2 and a molecular weight of 299.85 g/mol. Its IUPAC name is 5-[[ethyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[ethyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120901421
Molecular FormulaC9H18ClN3O2S2
Molecular Weight299.85 g/mol
Exact Mass299.05
IUPAC Name5-[[ethyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCCN(CCS(C)(=O)=O)Cc1cnc(N)s1.Cl
InChIInChI=1S/C9H17N3O2S2.ClH/c1-3-12(4-5-16(2,13)14)7-8-6-11-9(10)15-8;/h6H,3-5,7H2,1-2H3,(H2,10,11);1H
InChIKeyXSRVMQYHXMYMPJ-UHFFFAOYSA-N
XLogP1.01
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[ethyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120901421) is 5-[[ethyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[ethyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[ethyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is CCN(CCS(C)(=O)=O)Cc1cnc(N)s1.Cl.
What is the InChIKey of 5-[[ethyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is XSRVMQYHXMYMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S2.ClH/c1-3-12(4-5-16(2,13)14)7-8-6-11-9(10)15-8;/h6H,3-5,7H2,1-2H3,(H2,10,11);1H.
What are the key properties of 5-[[ethyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[ethyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 299.85 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120901421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).