4-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazol-2-amine

C13H12FN5S — CID 133449438

IUPAC4-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(NCCn3ccnn3)n2)cc1
InChIInChI=1S/C13H12FN5S/c14-11-3-1-10(2-4-11)12-9-20-13(17-12)15-5-7-19-8-6-16-18-19/h1-4,6,8-9H,5,7H2,(H,15,17)
InChIKeyLMSLSDJAVNJECR-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.65
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazol-2-amine

4-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 133449438) has the molecular formula C13H12FN5S and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID133449438
Molecular FormulaC13H12FN5S
Molecular Weight289.34 g/mol
Exact Mass289.08
IUPAC Name4-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(NCCn3ccnn3)n2)cc1
InChIInChI=1S/C13H12FN5S/c14-11-3-1-10(2-4-11)12-9-20-13(17-12)15-5-7-19-8-6-16-18-19/h1-4,6,8-9H,5,7H2,(H,15,17)
InChIKeyLMSLSDJAVNJECR-UHFFFAOYSA-N
XLogP2.65
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazol-2-amine (CID 133449438) is 4-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazol-2-amine is Fc1ccc(-c2csc(NCCn3ccnn3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is LMSLSDJAVNJECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5S/c14-11-3-1-10(2-4-11)12-9-20-13(17-12)15-5-7-19-8-6-16-18-19/h1-4,6,8-9H,5,7H2,(H,15,17).
What are the key properties of 4-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazol-2-amine?
4-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 289.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 133449438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).