2-[4-tert-butyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine

C12H22N2O2S2 — CID 82438893

IUPAC2-[4-tert-butyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCC(C)(C)c1nc(CS(C)(=O)=O)sc1C(C)(C)N
InChIInChI=1S/C12H22N2O2S2/c1-11(2,3)9-10(12(4,5)13)17-8(14-9)7-18(6,15)16/h7,13H2,1-6H3
InChIKeyRKZAVVSCLNXMKG-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.18
Rot. Bonds3

About 2-[4-tert-butyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine

2-[4-tert-butyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 82438893) has the molecular formula C12H22N2O2S2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[4-tert-butyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[4-tert-butyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine
PubChem CID82438893
Molecular FormulaC12H22N2O2S2
Molecular Weight290.45 g/mol
Exact Mass290.11
IUPAC Name2-[4-tert-butyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCC(C)(C)c1nc(CS(C)(=O)=O)sc1C(C)(C)N
InChIInChI=1S/C12H22N2O2S2/c1-11(2,3)9-10(12(4,5)13)17-8(14-9)7-18(6,15)16/h7,13H2,1-6H3
InChIKeyRKZAVVSCLNXMKG-UHFFFAOYSA-N
XLogP2.18
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-tert-butyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82438910
2-[4-tert-butyl-2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82438829
2-[4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82439448
2-[2-(methylsulfonylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol
CID 82432189
4-tert-butyl-2-(ethylsulfonylmethyl)-1,3-thiazole-5-carbonitrile
CID 82438900
N-[[2-(methylsulfonylmethyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 113497294
4,5-ditert-butyl-1,3-thiazol-2-amine
CID 131164167
5-(bromomethyl)-4-methyl-2-(methylsulfonylmethyl)-1,3-thiazole
CID 82426410
4-(2-methylpropyl)-2-(methylsulfonylmethyl)-1,3-thiazole-5-carboxylic acid
CID 114360459
2-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82438558
2-[4-tert-butyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82438989
[4-cyclopropyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanethiol
CID 82436819

Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[4-tert-butyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine (CID 82438893) is 2-[4-tert-butyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[4-tert-butyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[4-tert-butyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine is CC(C)(C)c1nc(CS(C)(=O)=O)sc1C(C)(C)N.
What is the InChIKey of 2-[4-tert-butyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is RKZAVVSCLNXMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S2/c1-11(2,3)9-10(12(4,5)13)17-8(14-9)7-18(6,15)16/h7,13H2,1-6H3.
What are the key properties of 2-[4-tert-butyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine?
2-[4-tert-butyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 82438893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).