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

C13H16N2S — CID 83291327

IUPAC5-methyl-N-(2-phenylpropyl)-1,3-thiazol-2-amine
SMILESCc1cnc(NCC(C)c2ccccc2)s1
InChIInChI=1S/C13H16N2S/c1-10(12-6-4-3-5-7-12)8-14-13-15-9-11(2)16-13/h3-7,9-10H,8H2,1-2H3,(H,14,15)
InChIKeyLCXFFRXYKZRBJL-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.67
Rot. Bonds4

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

5-methyl-N-(2-phenylpropyl)-1,3-thiazol-2-amine (PubChem CID 83291327) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 5-methyl-N-(2-phenylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2-phenylpropyl)-1,3-thiazol-2-amine
PubChem CID83291327
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name5-methyl-N-(2-phenylpropyl)-1,3-thiazol-2-amine
SMILESCc1cnc(NCC(C)c2ccccc2)s1
InChIInChI=1S/C13H16N2S/c1-10(12-6-4-3-5-7-12)8-14-13-15-9-11(2)16-13/h3-7,9-10H,8H2,1-2H3,(H,14,15)
InChIKeyLCXFFRXYKZRBJL-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.67
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-phenylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-(2-phenylpropyl)-1,3-thiazol-2-amine (CID 83291327) is 5-methyl-N-(2-phenylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(2-phenylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-(2-phenylpropyl)-1,3-thiazol-2-amine is Cc1cnc(NCC(C)c2ccccc2)s1.
What is the InChIKey of 5-methyl-N-(2-phenylpropyl)-1,3-thiazol-2-amine?
The InChIKey is LCXFFRXYKZRBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10(12-6-4-3-5-7-12)8-14-13-15-9-11(2)16-13/h3-7,9-10H,8H2,1-2H3,(H,14,15).
What are the key properties of 5-methyl-N-(2-phenylpropyl)-1,3-thiazol-2-amine?
5-methyl-N-(2-phenylpropyl)-1,3-thiazol-2-amine has a molecular weight of 232.35 g/mol, XLogP of 3.67, 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-phenylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83291327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).