2-[4-(2-benzylsulfanyl-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine

C19H20N2S2 — CID 3450759

IUPAC2-[4-(2-benzylsulfanyl-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCc1ccc(SCc2ccccc2)c(-c2csc(CCN)n2)c1
InChIInChI=1S/C19H20N2S2/c1-14-7-8-18(22-12-15-5-3-2-4-6-15)16(11-14)17-13-23-19(21-17)9-10-20/h2-8,11,13H,9-10,12,20H2,1H3
InChIKeyMGHLPWQDWGSEAP-UHFFFAOYSA-N
MW340.52 g/mol
LogP4.91
Rot. Bonds6

About 2-[4-(2-benzylsulfanyl-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine

2-[4-(2-benzylsulfanyl-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 3450759) has the molecular formula C19H20N2S2 and a molecular weight of 340.52 g/mol. Its IUPAC name is 2-[4-(2-benzylsulfanyl-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-benzylsulfanyl-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID3450759
Molecular FormulaC19H20N2S2
Molecular Weight340.52 g/mol
Exact Mass340.11
IUPAC Name2-[4-(2-benzylsulfanyl-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCc1ccc(SCc2ccccc2)c(-c2csc(CCN)n2)c1
InChIInChI=1S/C19H20N2S2/c1-14-7-8-18(22-12-15-5-3-2-4-6-15)16(11-14)17-13-23-19(21-17)9-10-20/h2-8,11,13H,9-10,12,20H2,1H3
InChIKeyMGHLPWQDWGSEAP-UHFFFAOYSA-N
XLogP4.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.52
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-benzylsulfanyl-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(2-benzylsulfanyl-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine (CID 3450759) is 2-[4-(2-benzylsulfanyl-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-benzylsulfanyl-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(2-benzylsulfanyl-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine is Cc1ccc(SCc2ccccc2)c(-c2csc(CCN)n2)c1.
What is the InChIKey of 2-[4-(2-benzylsulfanyl-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is MGHLPWQDWGSEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2S2/c1-14-7-8-18(22-12-15-5-3-2-4-6-15)16(11-14)17-13-23-19(21-17)9-10-20/h2-8,11,13H,9-10,12,20H2,1H3.
What are the key properties of 2-[4-(2-benzylsulfanyl-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine?
2-[4-(2-benzylsulfanyl-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 340.52 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-benzylsulfanyl-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 3450759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).