N-[[2-(tert-butylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine

C17H24N2S2 — CID 65138467

IUPACN-[[2-(tert-butylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1nc(CSC(C)(C)C)sc1-c1ccccc1
InChIInChI=1S/C17H24N2S2/c1-5-18-11-14-16(13-9-7-6-8-10-13)21-15(19-14)12-20-17(2,3)4/h6-10,18H,5,11-12H2,1-4H3
InChIKeyXINFSLPJHQNGMW-UHFFFAOYSA-N
MW320.53 g/mol
LogP4.95
Rot. Bonds6

About N-[[2-(tert-butylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine

N-[[2-(tert-butylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 65138467) has the molecular formula C17H24N2S2 and a molecular weight of 320.53 g/mol. Its IUPAC name is N-[[2-(tert-butylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(tert-butylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID65138467
Molecular FormulaC17H24N2S2
Molecular Weight320.53 g/mol
Exact Mass320.14
IUPAC NameN-[[2-(tert-butylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1nc(CSC(C)(C)C)sc1-c1ccccc1
InChIInChI=1S/C17H24N2S2/c1-5-18-11-14-16(13-9-7-6-8-10-13)21-15(19-14)12-20-17(2,3)4/h6-10,18H,5,11-12H2,1-4H3
InChIKeyXINFSLPJHQNGMW-UHFFFAOYSA-N
XLogP4.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.53
LogP ≤ 54.95
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)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(tert-butylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine (CID 65138467) is N-[[2-(tert-butylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(tert-butylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(tert-butylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine is CCNCc1nc(CSC(C)(C)C)sc1-c1ccccc1.
What is the InChIKey of N-[[2-(tert-butylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is XINFSLPJHQNGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S2/c1-5-18-11-14-16(13-9-7-6-8-10-13)21-15(19-14)12-20-17(2,3)4/h6-10,18H,5,11-12H2,1-4H3.
What are the key properties of N-[[2-(tert-butylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine?
N-[[2-(tert-butylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 320.53 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(tert-butylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 65138467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).