(1R)-2-(4-methylphenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanamine

C16H16N2S2 — CID 118371345

IUPAC(1R)-2-(4-methylphenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanamine
SMILESCc1ccc(C[C@@H](N)c2csc(-c3cccs3)n2)cc1
InChIInChI=1S/C16H16N2S2/c1-11-4-6-12(7-5-11)9-13(17)14-10-20-16(18-14)15-3-2-8-19-15/h2-8,10,13H,9,17H2,1H3/t13-/m1/s1
InChIKeyZLYYQRDBDVZNPY-CYBMUJFWSA-N
MW300.45 g/mol
LogP4.42
Rot. Bonds4

About (1R)-2-(4-methylphenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanamine

(1R)-2-(4-methylphenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanamine (PubChem CID 118371345) has the molecular formula C16H16N2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is (1R)-2-(4-methylphenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name(1R)-2-(4-methylphenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanamine
PubChem CID118371345
Molecular FormulaC16H16N2S2
Molecular Weight300.45 g/mol
Exact Mass300.08
IUPAC Name(1R)-2-(4-methylphenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanamine
SMILESCc1ccc(C[C@@H](N)c2csc(-c3cccs3)n2)cc1
InChIInChI=1S/C16H16N2S2/c1-11-4-6-12(7-5-11)9-13(17)14-10-20-16(18-14)15-3-2-8-19-15/h2-8,10,13H,9,17H2,1H3/t13-/m1/s1
InChIKeyZLYYQRDBDVZNPY-CYBMUJFWSA-N
XLogP4.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(4-methylphenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of (1R)-2-(4-methylphenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanamine (CID 118371345) is (1R)-2-(4-methylphenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for (1R)-2-(4-methylphenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for (1R)-2-(4-methylphenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanamine is Cc1ccc(C[C@@H](N)c2csc(-c3cccs3)n2)cc1.
What is the InChIKey of (1R)-2-(4-methylphenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is ZLYYQRDBDVZNPY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16N2S2/c1-11-4-6-12(7-5-11)9-13(17)14-10-20-16(18-14)15-3-2-8-19-15/h2-8,10,13H,9,17H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-2-(4-methylphenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanamine?
(1R)-2-(4-methylphenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 300.45 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(4-methylphenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 118371345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).