[2-(pyridin-3-ylmethylamino)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone

C17H12F3N3OS — CID 151619613

IUPAC[2-(pyridin-3-ylmethylamino)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1cnc(NCc2cccnc2)s1
InChIInChI=1S/C17H12F3N3OS/c18-17(19,20)13-5-1-4-12(7-13)15(24)14-10-23-16(25-14)22-9-11-3-2-6-21-8-11/h1-8,10H,9H2,(H,22,23)
InChIKeyQOFNMBPZQWNZCA-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.40
Rot. Bonds5

About [2-(pyridin-3-ylmethylamino)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone

[2-(pyridin-3-ylmethylamino)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 151619613) has the molecular formula C17H12F3N3OS and a molecular weight of 363.36 g/mol. Its IUPAC name is [2-(pyridin-3-ylmethylamino)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(pyridin-3-ylmethylamino)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID151619613
Molecular FormulaC17H12F3N3OS
Molecular Weight363.36 g/mol
Exact Mass363.07
IUPAC Name[2-(pyridin-3-ylmethylamino)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1cnc(NCc2cccnc2)s1
InChIInChI=1S/C17H12F3N3OS/c18-17(19,20)13-5-1-4-12(7-13)15(24)14-10-23-16(25-14)22-9-11-3-2-6-21-8-11/h1-8,10H,9H2,(H,22,23)
InChIKeyQOFNMBPZQWNZCA-UHFFFAOYSA-N
XLogP4.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(pyridin-3-ylmethylamino)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-(pyridin-3-ylmethylamino)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 151619613) is [2-(pyridin-3-ylmethylamino)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-(pyridin-3-ylmethylamino)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-(pyridin-3-ylmethylamino)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)c1cnc(NCc2cccnc2)s1.
What is the InChIKey of [2-(pyridin-3-ylmethylamino)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is QOFNMBPZQWNZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3OS/c18-17(19,20)13-5-1-4-12(7-13)15(24)14-10-23-16(25-14)22-9-11-3-2-6-21-8-11/h1-8,10H,9H2,(H,22,23).
What are the key properties of [2-(pyridin-3-ylmethylamino)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
[2-(pyridin-3-ylmethylamino)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 363.36 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyridin-3-ylmethylamino)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 151619613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).