1-[4-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine

C11H20N2S2 — CID 65137339

IUPAC1-[4-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(CSCC(C)C)sc1C(C)N
InChIInChI=1S/C11H20N2S2/c1-7(2)5-14-6-10-13-9(4)11(15-10)8(3)12/h7-8H,5-6,12H2,1-4H3
InChIKeyXLIHFBHDVPUQGX-UHFFFAOYSA-N
MW244.43 g/mol
LogP3.36
Rot. Bonds5

About 1-[4-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine

1-[4-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 65137339) has the molecular formula C11H20N2S2 and a molecular weight of 244.43 g/mol. Its IUPAC name is 1-[4-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID65137339
Molecular FormulaC11H20N2S2
Molecular Weight244.43 g/mol
Exact Mass244.11
IUPAC Name1-[4-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(CSCC(C)C)sc1C(C)N
InChIInChI=1S/C11H20N2S2/c1-7(2)5-14-6-10-13-9(4)11(15-10)8(3)12/h7-8H,5-6,12H2,1-4H3
InChIKeyXLIHFBHDVPUQGX-UHFFFAOYSA-N
XLogP3.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[4-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine (CID 65137339) is 1-[4-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine is Cc1nc(CSCC(C)C)sc1C(C)N.
What is the InChIKey of 1-[4-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is XLIHFBHDVPUQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S2/c1-7(2)5-14-6-10-13-9(4)11(15-10)8(3)12/h7-8H,5-6,12H2,1-4H3.
What are the key properties of 1-[4-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine?
1-[4-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 244.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 65137339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).