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

C12H16N2S — CID 2997387

IUPAC5-methyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NC(C)c2ccccc2)S1
InChIInChI=1S/C12H16N2S/c1-9-8-13-12(15-9)14-10(2)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,13,14)
InChIKeyZJIQMPFFCHYYLL-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.83
Rot. Bonds2

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

5-methyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 2997387) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 5-methyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID2997387
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name5-methyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NC(C)c2ccccc2)S1
InChIInChI=1S/C12H16N2S/c1-9-8-13-12(15-9)14-10(2)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,13,14)
InChIKeyZJIQMPFFCHYYLL-UHFFFAOYSA-N
XLogP2.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 2997387) is 5-methyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(NC(C)c2ccccc2)S1.
What is the InChIKey of 5-methyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ZJIQMPFFCHYYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-9-8-13-12(15-9)14-10(2)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,13,14).
What are the key properties of 5-methyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-methyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 220.34 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 5-methyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 2997387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).