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

C15H16FN5S — CID 71495370

IUPAC4-tert-butyl-N-(2-fluorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1nc(Nc2ccccc2F)sc1-n1cncn1
InChIInChI=1S/C15H16FN5S/c1-15(2,3)12-13(21-9-17-8-18-21)22-14(20-12)19-11-7-5-4-6-10(11)16/h4-9H,1-3H3,(H,19,20)
InChIKeyGDULDIYRTDJLPB-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.90
Rot. Bonds3

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

4-tert-butyl-N-(2-fluorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine (PubChem CID 71495370) has the molecular formula C15H16FN5S and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-fluorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(2-fluorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
PubChem CID71495370
Molecular FormulaC15H16FN5S
Molecular Weight317.39 g/mol
Exact Mass317.11
IUPAC Name4-tert-butyl-N-(2-fluorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1nc(Nc2ccccc2F)sc1-n1cncn1
InChIInChI=1S/C15H16FN5S/c1-15(2,3)12-13(21-9-17-8-18-21)22-14(20-12)19-11-7-5-4-6-10(11)16/h4-9H,1-3H3,(H,19,20)
InChIKeyGDULDIYRTDJLPB-UHFFFAOYSA-N
XLogP3.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-fluorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N-(2-fluorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine (CID 71495370) is 4-tert-butyl-N-(2-fluorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(2-fluorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N-(2-fluorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine is CC(C)(C)c1nc(Nc2ccccc2F)sc1-n1cncn1.
What is the InChIKey of 4-tert-butyl-N-(2-fluorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine?
The InChIKey is GDULDIYRTDJLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5S/c1-15(2,3)12-13(21-9-17-8-18-21)22-14(20-12)19-11-7-5-4-6-10(11)16/h4-9H,1-3H3,(H,19,20).
What are the key properties of 4-tert-butyl-N-(2-fluorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine?
4-tert-butyl-N-(2-fluorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine has a molecular weight of 317.39 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-fluorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 71495370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).