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

C13H24N2S2 — CID 82438829

IUPAC2-[4-tert-butyl-2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCCSCc1nc(C(C)(C)C)c(C(C)(C)N)s1
InChIInChI=1S/C13H24N2S2/c1-7-16-8-9-15-10(12(2,3)4)11(17-9)13(5,6)14/h7-8,14H2,1-6H3
InChIKeyBEDMYFVPLXKYGL-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.89
Rot. Bonds4

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

2-[4-tert-butyl-2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 82438829) has the molecular formula C13H24N2S2 and a molecular weight of 272.48 g/mol. Its IUPAC name is 2-[4-tert-butyl-2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[4-tert-butyl-2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-amine
PubChem CID82438829
Molecular FormulaC13H24N2S2
Molecular Weight272.48 g/mol
Exact Mass272.14
IUPAC Name2-[4-tert-butyl-2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCCSCc1nc(C(C)(C)C)c(C(C)(C)N)s1
InChIInChI=1S/C13H24N2S2/c1-7-16-8-9-15-10(12(2,3)4)11(17-9)13(5,6)14/h7-8,14H2,1-6H3
InChIKeyBEDMYFVPLXKYGL-UHFFFAOYSA-N
XLogP3.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-tert-butyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82438893
2-[4-tert-butyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82438910
4-tert-butyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbothioamide
CID 82438866
2-[4-tert-butyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82439448
2-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432070
[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82438798
N-[[4-tert-butyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362510
2-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432132
4-ethyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboxylic acid
CID 104838393
4-cyclopropyl-2-(ethylsulfanylmethyl)-1,3-thiazole-5-carboximidamide
CID 82436727
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[4-tert-butyl-2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-amine (CID 82438829) is 2-[4-tert-butyl-2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[4-tert-butyl-2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[4-tert-butyl-2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-amine is CCSCc1nc(C(C)(C)C)c(C(C)(C)N)s1.
What is the InChIKey of 2-[4-tert-butyl-2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is BEDMYFVPLXKYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S2/c1-7-16-8-9-15-10(12(2,3)4)11(17-9)13(5,6)14/h7-8,14H2,1-6H3.
What are the key properties of 2-[4-tert-butyl-2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-amine?
2-[4-tert-butyl-2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 272.48 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 82438829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).