N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine

C11H20N2S2 — CID 65132309

IUPACN-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(CSC(C)(C)C)n1
InChIInChI=1S/C11H20N2S2/c1-5-12-6-9-7-14-10(13-9)8-15-11(2,3)4/h7,12H,5-6,8H2,1-4H3
InChIKeyGWYCEVWGLTYQQK-UHFFFAOYSA-N
MW244.43 g/mol
LogP3.28
Rot. Bonds5

About N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine

N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 65132309) has the molecular formula C11H20N2S2 and a molecular weight of 244.43 g/mol. Its IUPAC name is N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID65132309
Molecular FormulaC11H20N2S2
Molecular Weight244.43 g/mol
Exact Mass244.11
IUPAC NameN-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(CSC(C)(C)C)n1
InChIInChI=1S/C11H20N2S2/c1-5-12-6-9-7-14-10(13-9)8-15-11(2,3)4/h7,12H,5-6,8H2,1-4H3
InChIKeyGWYCEVWGLTYQQK-UHFFFAOYSA-N
XLogP3.28
TPSA24.92 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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine (CID 65132309) is N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine is CCNCc1csc(CSC(C)(C)C)n1.
What is the InChIKey of N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is GWYCEVWGLTYQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S2/c1-5-12-6-9-7-14-10(13-9)8-15-11(2,3)4/h7,12H,5-6,8H2,1-4H3.
What are the key properties of N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine?
N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 244.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 65132309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).