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

C14H18N2S2 — CID 64717715

IUPACN-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1nc(CSC)sc1-c1ccccc1
InChIInChI=1S/C14H18N2S2/c1-3-15-9-12-14(11-7-5-4-6-8-11)18-13(16-12)10-17-2/h4-8,15H,3,9-10H2,1-2H3
InChIKeyMVGVPYFBZWQIRE-UHFFFAOYSA-N
MW278.45 g/mol
LogP3.78
Rot. Bonds6

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

N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 64717715) has the molecular formula C14H18N2S2 and a molecular weight of 278.45 g/mol. Its IUPAC name is N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID64717715
Molecular FormulaC14H18N2S2
Molecular Weight278.45 g/mol
Exact Mass278.09
IUPAC NameN-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1nc(CSC)sc1-c1ccccc1
InChIInChI=1S/C14H18N2S2/c1-3-15-9-12-14(11-7-5-4-6-8-11)18-13(16-12)10-17-2/h4-8,15H,3,9-10H2,1-2H3
InChIKeyMVGVPYFBZWQIRE-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine (CID 64717715) is N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine is CCNCc1nc(CSC)sc1-c1ccccc1.
What is the InChIKey of N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is MVGVPYFBZWQIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S2/c1-3-15-9-12-14(11-7-5-4-6-8-11)18-13(16-12)10-17-2/h4-8,15H,3,9-10H2,1-2H3.
What are the key properties of N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine?
N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 278.45 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 64717715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).