2-tert-butyl-4-(4-fluorophenyl)-1,3-thiazol-5-amine

C13H15FN2S — CID 62076851

IUPAC2-tert-butyl-4-(4-fluorophenyl)-1,3-thiazol-5-amine
SMILESCC(C)(C)c1nc(-c2ccc(F)cc2)c(N)s1
InChIInChI=1S/C13H15FN2S/c1-13(2,3)12-16-10(11(15)17-12)8-4-6-9(14)7-5-8/h4-7H,15H2,1-3H3
InChIKeyYKRCGMGAZNLZEN-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.83
Rot. Bonds1

About 2-tert-butyl-4-(4-fluorophenyl)-1,3-thiazol-5-amine

2-tert-butyl-4-(4-fluorophenyl)-1,3-thiazol-5-amine (PubChem CID 62076851) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-tert-butyl-4-(4-fluorophenyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-tert-butyl-4-(4-fluorophenyl)-1,3-thiazol-5-amine
PubChem CID62076851
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name2-tert-butyl-4-(4-fluorophenyl)-1,3-thiazol-5-amine
SMILESCC(C)(C)c1nc(-c2ccc(F)cc2)c(N)s1
InChIInChI=1S/C13H15FN2S/c1-13(2,3)12-16-10(11(15)17-12)8-4-6-9(14)7-5-8/h4-7H,15H2,1-3H3
InChIKeyYKRCGMGAZNLZEN-UHFFFAOYSA-N
XLogP3.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(4-fluorophenyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-tert-butyl-4-(4-fluorophenyl)-1,3-thiazol-5-amine (CID 62076851) is 2-tert-butyl-4-(4-fluorophenyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-tert-butyl-4-(4-fluorophenyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-tert-butyl-4-(4-fluorophenyl)-1,3-thiazol-5-amine is CC(C)(C)c1nc(-c2ccc(F)cc2)c(N)s1.
What is the InChIKey of 2-tert-butyl-4-(4-fluorophenyl)-1,3-thiazol-5-amine?
The InChIKey is YKRCGMGAZNLZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-13(2,3)12-16-10(11(15)17-12)8-4-6-9(14)7-5-8/h4-7H,15H2,1-3H3.
What are the key properties of 2-tert-butyl-4-(4-fluorophenyl)-1,3-thiazol-5-amine?
2-tert-butyl-4-(4-fluorophenyl)-1,3-thiazol-5-amine has a molecular weight of 250.34 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(4-fluorophenyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 62076851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).