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

C11H12N2S — CID 12009827

IUPAC1-(2-phenyl-1,3-thiazol-4-yl)ethanamine
SMILESCC(N)c1csc(-c2ccccc2)n1
InChIInChI=1S/C11H12N2S/c1-8(12)10-7-14-11(13-10)9-5-3-2-4-6-9/h2-8H,12H2,1H3
InChIKeyYWOJXDAVFHLKSS-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.83
Rot. Bonds2

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

1-(2-phenyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 12009827) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 1-(2-phenyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-phenyl-1,3-thiazol-4-yl)ethanamine
PubChem CID12009827
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name1-(2-phenyl-1,3-thiazol-4-yl)ethanamine
SMILESCC(N)c1csc(-c2ccccc2)n1
InChIInChI=1S/C11H12N2S/c1-8(12)10-7-14-11(13-10)9-5-3-2-4-6-9/h2-8H,12H2,1H3
InChIKeyYWOJXDAVFHLKSS-UHFFFAOYSA-N
XLogP2.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 1-(2-phenyl-1,3-thiazol-4-yl)ethanamine (CID 12009827) is 1-(2-phenyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2-phenyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 1-(2-phenyl-1,3-thiazol-4-yl)ethanamine is CC(N)c1csc(-c2ccccc2)n1.
What is the InChIKey of 1-(2-phenyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is YWOJXDAVFHLKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-8(12)10-7-14-11(13-10)9-5-3-2-4-6-9/h2-8H,12H2,1H3.
What are the key properties of 1-(2-phenyl-1,3-thiazol-4-yl)ethanamine?
1-(2-phenyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 204.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 12009827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).