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

C13H24N2O2S2 — CID 82438910

IUPAC2-[4-tert-butyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCCS(=O)(=O)Cc1nc(C(C)(C)C)c(C(C)(C)N)s1
InChIInChI=1S/C13H24N2O2S2/c1-7-19(16,17)8-9-15-10(12(2,3)4)11(18-9)13(5,6)14/h7-8,14H2,1-6H3
InChIKeyFBBASGKSSPEWMA-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.57
Rot. Bonds4

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

2-[4-tert-butyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 82438910) has the molecular formula C13H24N2O2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-[4-tert-butyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[4-tert-butyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine
PubChem CID82438910
Molecular FormulaC13H24N2O2S2
Molecular Weight304.48 g/mol
Exact Mass304.13
IUPAC Name2-[4-tert-butyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCCS(=O)(=O)Cc1nc(C(C)(C)C)c(C(C)(C)N)s1
InChIInChI=1S/C13H24N2O2S2/c1-7-19(16,17)8-9-15-10(12(2,3)4)11(18-9)13(5,6)14/h7-8,14H2,1-6H3
InChIKeyFBBASGKSSPEWMA-UHFFFAOYSA-N
XLogP2.57
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-tert-butyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82438893
4-tert-butyl-2-(ethylsulfonylmethyl)-1,3-thiazole-5-carbonitrile
CID 82438900
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
[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82436840
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
2-(ethylsulfonylmethyl)-1,3-thiazol-4-amine
CID 117187031
2-[2-(ethylsulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid
CID 82434501
2-[2-(methylsulfonylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol
CID 82432189
4,5-ditert-butyl-1,3-thiazol-2-amine
CID 131164167
2-[4-methyl-2-(propan-2-ylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82426459

Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[4-tert-butyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine (CID 82438910) is 2-[4-tert-butyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[4-tert-butyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[4-tert-butyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine is CCS(=O)(=O)Cc1nc(C(C)(C)C)c(C(C)(C)N)s1.
What is the InChIKey of 2-[4-tert-butyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is FBBASGKSSPEWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S2/c1-7-19(16,17)8-9-15-10(12(2,3)4)11(18-9)13(5,6)14/h7-8,14H2,1-6H3.
What are the key properties of 2-[4-tert-butyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine?
2-[4-tert-butyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 304.48 g/mol, XLogP of 2.57, 4 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-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 82438910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).