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

C11H12N2S — CID 22690260

IUPAC2-(2-phenyl-1,3-thiazol-4-yl)ethanamine
SMILESNCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C11H12N2S/c12-7-6-10-8-14-11(13-10)9-4-2-1-3-5-9/h1-5,8H,6-7,12H2
InChIKeyCISTXXCPQIZSIS-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.31
Rot. Bonds3

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

2-(2-phenyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 22690260) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 2-(2-phenyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-phenyl-1,3-thiazol-4-yl)ethanamine
PubChem CID22690260
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name2-(2-phenyl-1,3-thiazol-4-yl)ethanamine
SMILESNCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C11H12N2S/c12-7-6-10-8-14-11(13-10)9-4-2-1-3-5-9/h1-5,8H,6-7,12H2
InChIKeyCISTXXCPQIZSIS-UHFFFAOYSA-N
XLogP2.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 2-(2-phenyl-1,3-thiazol-4-yl)ethanamine (CID 22690260) is 2-(2-phenyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-phenyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-phenyl-1,3-thiazol-4-yl)ethanamine is NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of 2-(2-phenyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is CISTXXCPQIZSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c12-7-6-10-8-14-11(13-10)9-4-2-1-3-5-9/h1-5,8H,6-7,12H2.
What are the key properties of 2-(2-phenyl-1,3-thiazol-4-yl)ethanamine?
2-(2-phenyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 204.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 22690260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).