2-(2-benzhydryl-1,3-thiazol-4-yl)ethanamine

C18H18N2S — CID 10789955

IUPAC2-(2-benzhydryl-1,3-thiazol-4-yl)ethanamine
SMILESNCCc1csc(C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C18H18N2S/c19-12-11-16-13-21-18(20-16)17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,17H,11-12,19H2
InChIKeyGDJDANJUWWJEFE-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.82
Rot. Bonds5

About 2-(2-benzhydryl-1,3-thiazol-4-yl)ethanamine

2-(2-benzhydryl-1,3-thiazol-4-yl)ethanamine (PubChem CID 10789955) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(2-benzhydryl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-benzhydryl-1,3-thiazol-4-yl)ethanamine
PubChem CID10789955
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name2-(2-benzhydryl-1,3-thiazol-4-yl)ethanamine
SMILESNCCc1csc(C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C18H18N2S/c19-12-11-16-13-21-18(20-16)17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,17H,11-12,19H2
InChIKeyGDJDANJUWWJEFE-UHFFFAOYSA-N
XLogP3.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzhydryl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 2-(2-benzhydryl-1,3-thiazol-4-yl)ethanamine (CID 10789955) is 2-(2-benzhydryl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-benzhydryl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-benzhydryl-1,3-thiazol-4-yl)ethanamine is NCCc1csc(C(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2-(2-benzhydryl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is GDJDANJUWWJEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c19-12-11-16-13-21-18(20-16)17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,17H,11-12,19H2.
What are the key properties of 2-(2-benzhydryl-1,3-thiazol-4-yl)ethanamine?
2-(2-benzhydryl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 294.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzhydryl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 10789955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).