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

C13H16N2S — CID 62077499

IUPAC4-tert-butyl-2-phenyl-1,3-thiazol-5-amine
SMILESCC(C)(C)c1nc(-c2ccccc2)sc1N
InChIInChI=1S/C13H16N2S/c1-13(2,3)10-11(14)16-12(15-10)9-7-5-4-6-8-9/h4-8H,14H2,1-3H3
InChIKeyGJRDHAMPONGEHL-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.69
Rot. Bonds1

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

4-tert-butyl-2-phenyl-1,3-thiazol-5-amine (PubChem CID 62077499) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 4-tert-butyl-2-phenyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-tert-butyl-2-phenyl-1,3-thiazol-5-amine
PubChem CID62077499
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name4-tert-butyl-2-phenyl-1,3-thiazol-5-amine
SMILESCC(C)(C)c1nc(-c2ccccc2)sc1N
InChIInChI=1S/C13H16N2S/c1-13(2,3)10-11(14)16-12(15-10)9-7-5-4-6-8-9/h4-8H,14H2,1-3H3
InChIKeyGJRDHAMPONGEHL-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 4-tert-butyl-2-phenyl-1,3-thiazol-5-amine?
The IUPAC name of 4-tert-butyl-2-phenyl-1,3-thiazol-5-amine (CID 62077499) is 4-tert-butyl-2-phenyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-tert-butyl-2-phenyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-tert-butyl-2-phenyl-1,3-thiazol-5-amine is CC(C)(C)c1nc(-c2ccccc2)sc1N.
What is the InChIKey of 4-tert-butyl-2-phenyl-1,3-thiazol-5-amine?
The InChIKey is GJRDHAMPONGEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-13(2,3)10-11(14)16-12(15-10)9-7-5-4-6-8-9/h4-8H,14H2,1-3H3.
What are the key properties of 4-tert-butyl-2-phenyl-1,3-thiazol-5-amine?
4-tert-butyl-2-phenyl-1,3-thiazol-5-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 4-tert-butyl-2-phenyl-1,3-thiazol-5-amine is sourced from PubChem (CID 62077499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).