5-(aminomethyl)-4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C16H13F3N4S — CID 88887698

IUPAC5-(aminomethyl)-4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESNCc1sc(Nc2cccc(C(F)(F)F)c2)nc1-c1cccnc1
InChIInChI=1S/C16H13F3N4S/c17-16(18,19)11-4-1-5-12(7-11)22-15-23-14(13(8-20)24-15)10-3-2-6-21-9-10/h1-7,9H,8,20H2,(H,22,23)
InChIKeyIPBZOEGXOLBOJJ-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.43
Rot. Bonds4

About 5-(aminomethyl)-4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

5-(aminomethyl)-4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 88887698) has the molecular formula C16H13F3N4S and a molecular weight of 350.37 g/mol. Its IUPAC name is 5-(aminomethyl)-4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID88887698
Molecular FormulaC16H13F3N4S
Molecular Weight350.37 g/mol
Exact Mass350.08
IUPAC Name5-(aminomethyl)-4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESNCc1sc(Nc2cccc(C(F)(F)F)c2)nc1-c1cccnc1
InChIInChI=1S/C16H13F3N4S/c17-16(18,19)11-4-1-5-12(7-11)22-15-23-14(13(8-20)24-15)10-3-2-6-21-9-10/h1-7,9H,8,20H2,(H,22,23)
InChIKeyIPBZOEGXOLBOJJ-UHFFFAOYSA-N
XLogP4.43
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 88887698) is 5-(aminomethyl)-4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is NCc1sc(Nc2cccc(C(F)(F)F)c2)nc1-c1cccnc1.
What is the InChIKey of 5-(aminomethyl)-4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is IPBZOEGXOLBOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4S/c17-16(18,19)11-4-1-5-12(7-11)22-15-23-14(13(8-20)24-15)10-3-2-6-21-9-10/h1-7,9H,8,20H2,(H,22,23).
What are the key properties of 5-(aminomethyl)-4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
5-(aminomethyl)-4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 350.37 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 88887698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).