2-methyl-N-[[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C12H22N2O2S2 — CID 116633333

IUPAC2-methyl-N-[[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(C(C)S(C)(=O)=O)sc1CNC(C)(C)C
InChIInChI=1S/C12H22N2O2S2/c1-8-10(7-13-12(3,4)5)17-11(14-8)9(2)18(6,15)16/h9,13H,7H2,1-6H3
InChIKeyUUBACANWOUZYKE-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.45
Rot. Bonds4

About 2-methyl-N-[[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

2-methyl-N-[[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 116633333) has the molecular formula C12H22N2O2S2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-methyl-N-[[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID116633333
Molecular FormulaC12H22N2O2S2
Molecular Weight290.45 g/mol
Exact Mass290.11
IUPAC Name2-methyl-N-[[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(C(C)S(C)(=O)=O)sc1CNC(C)(C)C
InChIInChI=1S/C12H22N2O2S2/c1-8-10(7-13-12(3,4)5)17-11(14-8)9(2)18(6,15)16/h9,13H,7H2,1-6H3
InChIKeyUUBACANWOUZYKE-UHFFFAOYSA-N
XLogP2.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[2-(1-methoxy-2-methylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116730581
N-[[2-(1-methoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116730576
N-[[2-(1-ethoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116730586
2-methyl-N-[[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116633699
N-[[2-(1-methylsulfonylethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365445
1-[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]ethanamine
CID 116633080
5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767600
N-[[4-ethyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116633346
[4-(methoxymethyl)-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methanamine
CID 114361701
N-[[2-(1-methoxyethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364548
N-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116777926
5-[(tert-butylamino)methyl]-N-cyclohexyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62763955

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 116633333) is 2-methyl-N-[[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is Cc1nc(C(C)S(C)(=O)=O)sc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is UUBACANWOUZYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S2/c1-8-10(7-13-12(3,4)5)17-11(14-8)9(2)18(6,15)16/h9,13H,7H2,1-6H3.
What are the key properties of 2-methyl-N-[[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 116633333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).