(pyridin-2-ylamino)-[2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol

C19H13F3N4OS — CID 90882412

IUPAC(pyridin-2-ylamino)-[2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol
SMILESOC(Nc1ccccn1)c1ccnc2sc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C19H13F3N4OS/c20-19(21,22)12-5-3-4-11(10-12)17-26-15-13(7-9-24-18(15)28-17)16(27)25-14-6-1-2-8-23-14/h1-10,16,27H,(H,23,25)
InChIKeyLKDWGQHGIHNLFX-UHFFFAOYSA-N
MW402.40 g/mol
LogP4.88
Rot. Bonds4

About (pyridin-2-ylamino)-[2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol

(pyridin-2-ylamino)-[2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol (PubChem CID 90882412) has the molecular formula C19H13F3N4OS and a molecular weight of 402.40 g/mol. Its IUPAC name is (pyridin-2-ylamino)-[2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol.

Molecular Properties

Compound Name(pyridin-2-ylamino)-[2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol
PubChem CID90882412
Molecular FormulaC19H13F3N4OS
Molecular Weight402.40 g/mol
Exact Mass402.08
IUPAC Name(pyridin-2-ylamino)-[2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol
SMILESOC(Nc1ccccn1)c1ccnc2sc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C19H13F3N4OS/c20-19(21,22)12-5-3-4-11(10-12)17-26-15-13(7-9-24-18(15)28-17)16(27)25-14-6-1-2-8-23-14/h1-10,16,27H,(H,23,25)
InChIKeyLKDWGQHGIHNLFX-UHFFFAOYSA-N
XLogP4.88
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (pyridin-2-ylamino)-[2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol?
The IUPAC name of (pyridin-2-ylamino)-[2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol (CID 90882412) is (pyridin-2-ylamino)-[2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol.
What is the SMILES notation for (pyridin-2-ylamino)-[2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol?
The canonical SMILES for (pyridin-2-ylamino)-[2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol is OC(Nc1ccccn1)c1ccnc2sc(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of (pyridin-2-ylamino)-[2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol?
The InChIKey is LKDWGQHGIHNLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4OS/c20-19(21,22)12-5-3-4-11(10-12)17-26-15-13(7-9-24-18(15)28-17)16(27)25-14-6-1-2-8-23-14/h1-10,16,27H,(H,23,25).
What are the key properties of (pyridin-2-ylamino)-[2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol?
(pyridin-2-ylamino)-[2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol has a molecular weight of 402.40 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (pyridin-2-ylamino)-[2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-7-yl]methanol is sourced from PubChem (CID 90882412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).