5-tert-butyl-4-phenyl-1,3-thiazol-2-amine

C13H16N2S — CID 765629

IUPAC5-tert-butyl-4-phenyl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1sc(N)nc1-c1ccccc1
InChIInChI=1S/C13H16N2S/c1-13(2,3)11-10(15-12(14)16-11)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,14,15)
InChIKeyCNMGPWGMAPXPOX-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.69
Rot. Bonds1

About 5-tert-butyl-4-phenyl-1,3-thiazol-2-amine

5-tert-butyl-4-phenyl-1,3-thiazol-2-amine (PubChem CID 765629) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 5-tert-butyl-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-4-phenyl-1,3-thiazol-2-amine
PubChem CID765629
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name5-tert-butyl-4-phenyl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1sc(N)nc1-c1ccccc1
InChIInChI=1S/C13H16N2S/c1-13(2,3)11-10(15-12(14)16-11)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,14,15)
InChIKeyCNMGPWGMAPXPOX-UHFFFAOYSA-N
XLogP3.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-tert-butyl-4-phenyl-1,3-thiazol-2-amine (CID 765629) is 5-tert-butyl-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-tert-butyl-4-phenyl-1,3-thiazol-2-amine is CC(C)(C)c1sc(N)nc1-c1ccccc1.
What is the InChIKey of 5-tert-butyl-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is CNMGPWGMAPXPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-13(2,3)11-10(15-12(14)16-11)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,14,15).
What are the key properties of 5-tert-butyl-4-phenyl-1,3-thiazol-2-amine?
5-tert-butyl-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 232.35 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 765629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).