N-methyl-4-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine

C9H17N3O2S2 — CID 79859441

IUPACN-methyl-4-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine
SMILESCNCc1csc(N(C)CCS(C)(=O)=O)n1
InChIInChI=1S/C9H17N3O2S2/c1-10-6-8-7-15-9(11-8)12(2)4-5-16(3,13)14/h7,10H,4-6H2,1-3H3
InChIKeyZEHLORXUYSFSHX-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.34
Rot. Bonds6

About N-methyl-4-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine

N-methyl-4-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine (PubChem CID 79859441) has the molecular formula C9H17N3O2S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is N-methyl-4-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine
PubChem CID79859441
Molecular FormulaC9H17N3O2S2
Molecular Weight263.39 g/mol
Exact Mass263.08
IUPAC NameN-methyl-4-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine
SMILESCNCc1csc(N(C)CCS(C)(=O)=O)n1
InChIInChI=1S/C9H17N3O2S2/c1-10-6-8-7-15-9(11-8)12(2)4-5-16(3,13)14/h7,10H,4-6H2,1-3H3
InChIKeyZEHLORXUYSFSHX-UHFFFAOYSA-N
XLogP0.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[2-[methyl(2-methylsulfonylethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040512
4-bromo-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine
CID 79864884
N-methyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 79850296
N,4-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine
CID 83189165
N-methyl-4-(methylaminomethyl)-N-(2-methylsulfonylethyl)aniline
CID 79849570
methyl 3-[2-[methyl(propyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107039998
methyl 3-[2-[2-methoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040251
N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-2-methylsulfonylethanamine
CID 107557165
N,N'-dimethyl-N'-(4-prop-2-enyl-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 143504672
3-[[4-(chloromethyl)-1,3-thiazol-2-yl]-methylamino]propanoic acid
CID 82179899
N-methyl-N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 79858515
N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 80635616

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine (CID 79859441) is N-methyl-4-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine is CNCc1csc(N(C)CCS(C)(=O)=O)n1.
What is the InChIKey of N-methyl-4-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine?
The InChIKey is ZEHLORXUYSFSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S2/c1-10-6-8-7-15-9(11-8)12(2)4-5-16(3,13)14/h7,10H,4-6H2,1-3H3.
What are the key properties of N-methyl-4-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine?
N-methyl-4-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine has a molecular weight of 263.39 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79859441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).