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

C14H14FN5S — CID 167937278

IUPAC2-[4-[1-(4-fluorophenyl)triazol-4-yl]-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(-c2cn(-c3ccc(F)cc3)nn2)cs1
InChIInChI=1S/C14H14FN5S/c1-16-7-6-14-17-13(9-21-14)12-8-20(19-18-12)11-4-2-10(15)3-5-11/h2-5,8-9,16H,6-7H2,1H3
InChIKeyGCUXUJPNZNRUPL-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.29
Rot. Bonds5

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

2-[4-[1-(4-fluorophenyl)triazol-4-yl]-1,3-thiazol-2-yl]-N-methylethanamine (PubChem CID 167937278) has the molecular formula C14H14FN5S and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-[4-[1-(4-fluorophenyl)triazol-4-yl]-1,3-thiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[1-(4-fluorophenyl)triazol-4-yl]-1,3-thiazol-2-yl]-N-methylethanamine
PubChem CID167937278
Molecular FormulaC14H14FN5S
Molecular Weight303.37 g/mol
Exact Mass303.10
IUPAC Name2-[4-[1-(4-fluorophenyl)triazol-4-yl]-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(-c2cn(-c3ccc(F)cc3)nn2)cs1
InChIInChI=1S/C14H14FN5S/c1-16-7-6-14-17-13(9-21-14)12-8-20(19-18-12)11-4-2-10(15)3-5-11/h2-5,8-9,16H,6-7H2,1H3
InChIKeyGCUXUJPNZNRUPL-UHFFFAOYSA-N
XLogP2.29
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-fluorophenyl)triazol-4-yl]-1,3-thiazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[1-(4-fluorophenyl)triazol-4-yl]-1,3-thiazol-2-yl]-N-methylethanamine (CID 167937278) is 2-[4-[1-(4-fluorophenyl)triazol-4-yl]-1,3-thiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[1-(4-fluorophenyl)triazol-4-yl]-1,3-thiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[1-(4-fluorophenyl)triazol-4-yl]-1,3-thiazol-2-yl]-N-methylethanamine is CNCCc1nc(-c2cn(-c3ccc(F)cc3)nn2)cs1.
What is the InChIKey of 2-[4-[1-(4-fluorophenyl)triazol-4-yl]-1,3-thiazol-2-yl]-N-methylethanamine?
The InChIKey is GCUXUJPNZNRUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5S/c1-16-7-6-14-17-13(9-21-14)12-8-20(19-18-12)11-4-2-10(15)3-5-11/h2-5,8-9,16H,6-7H2,1H3.
What are the key properties of 2-[4-[1-(4-fluorophenyl)triazol-4-yl]-1,3-thiazol-2-yl]-N-methylethanamine?
2-[4-[1-(4-fluorophenyl)triazol-4-yl]-1,3-thiazol-2-yl]-N-methylethanamine has a molecular weight of 303.37 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-fluorophenyl)triazol-4-yl]-1,3-thiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 167937278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).