N,N-dimethyl-5-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride

C9H18ClN3O2S2 — CID 115596007

IUPACN,N-dimethyl-5-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(C)c1ncc(CNCCS(C)(=O)=O)s1.Cl
InChIInChI=1S/C9H17N3O2S2.ClH/c1-12(2)9-11-7-8(15-9)6-10-4-5-16(3,13)14;/h7,10H,4-6H2,1-3H3;1H
InChIKeyGAHYMWMBJYVAMU-UHFFFAOYSA-N
MW299.85 g/mol
LogP0.77
Rot. Bonds6

About N,N-dimethyl-5-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride

N,N-dimethyl-5-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 115596007) has the molecular formula C9H18ClN3O2S2 and a molecular weight of 299.85 g/mol. Its IUPAC name is N,N-dimethyl-5-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-5-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID115596007
Molecular FormulaC9H18ClN3O2S2
Molecular Weight299.85 g/mol
Exact Mass299.05
IUPAC NameN,N-dimethyl-5-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(C)c1ncc(CNCCS(C)(=O)=O)s1.Cl
InChIInChI=1S/C9H17N3O2S2.ClH/c1-12(2)9-11-7-8(15-9)6-10-4-5-16(3,13)14;/h7,10H,4-6H2,1-3H3;1H
InChIKeyGAHYMWMBJYVAMU-UHFFFAOYSA-N
XLogP0.77
TPSA62.30 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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 79858515
5-[(2-cyclopropylethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 115656457
5-[(3-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride
CID 115587033
3-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61019602
5-[(2-cyclobutylethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 115690277
5-[(tert-butylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 61037566
2-[2-(dimethylamino)-1,3-thiazol-5-yl]acetaldehyde
CID 83874030
3-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropan-1-ol
CID 115592480
2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684331
N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 115587078
2-[[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]methyl]-2-ethylbutanoic acid
CID 122129108
5-[(2-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 115655685

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-5-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride (CID 115596007) is N,N-dimethyl-5-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-5-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-5-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride is CN(C)c1ncc(CNCCS(C)(=O)=O)s1.Cl.
What is the InChIKey of N,N-dimethyl-5-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is GAHYMWMBJYVAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S2.ClH/c1-12(2)9-11-7-8(15-9)6-10-4-5-16(3,13)14;/h7,10H,4-6H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-5-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride?
N,N-dimethyl-5-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 299.85 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 115596007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).