4-(2-phenylethyl)-1,3-thiazol-5-amine

C11H12N2S — CID 62880575

IUPAC4-(2-phenylethyl)-1,3-thiazol-5-amine
SMILESNc1scnc1CCc1ccccc1
InChIInChI=1S/C11H12N2S/c12-11-10(13-8-14-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,12H2
InChIKeyLUOYCMMYELXGHL-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.51
Rot. Bonds3

About 4-(2-phenylethyl)-1,3-thiazol-5-amine

4-(2-phenylethyl)-1,3-thiazol-5-amine (PubChem CID 62880575) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 4-(2-phenylethyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(2-phenylethyl)-1,3-thiazol-5-amine
PubChem CID62880575
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name4-(2-phenylethyl)-1,3-thiazol-5-amine
SMILESNc1scnc1CCc1ccccc1
InChIInChI=1S/C11H12N2S/c12-11-10(13-8-14-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,12H2
InChIKeyLUOYCMMYELXGHL-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)-1,3-thiazol-5-amine?
The IUPAC name of 4-(2-phenylethyl)-1,3-thiazol-5-amine (CID 62880575) is 4-(2-phenylethyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(2-phenylethyl)-1,3-thiazol-5-amine?
The canonical SMILES for 4-(2-phenylethyl)-1,3-thiazol-5-amine is Nc1scnc1CCc1ccccc1.
What is the InChIKey of 4-(2-phenylethyl)-1,3-thiazol-5-amine?
The InChIKey is LUOYCMMYELXGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c12-11-10(13-8-14-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,12H2.
What are the key properties of 4-(2-phenylethyl)-1,3-thiazol-5-amine?
4-(2-phenylethyl)-1,3-thiazol-5-amine has a molecular weight of 204.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 62880575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).