5-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine

C12H14N2S — CID 935229

IUPAC5-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine
SMILESCc1cnc(NCCc2ccccc2)s1
InChIInChI=1S/C12H14N2S/c1-10-9-14-12(15-10)13-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,13,14)
InChIKeyXNYRJUSVIKOJKQ-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.11
Rot. Bonds4

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

5-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine (PubChem CID 935229) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 5-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine
PubChem CID935229
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name5-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine
SMILESCc1cnc(NCCc2ccccc2)s1
InChIInChI=1S/C12H14N2S/c1-10-9-14-12(15-10)13-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,13,14)
InChIKeyXNYRJUSVIKOJKQ-UHFFFAOYSA-N
XLogP3.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine (CID 935229) is 5-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine is Cc1cnc(NCCc2ccccc2)s1.
What is the InChIKey of 5-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The InChIKey is XNYRJUSVIKOJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-10-9-14-12(15-10)13-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,13,14).
What are the key properties of 5-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine?
5-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine has a molecular weight of 218.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 935229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).