1-[2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea

C18H16FN7O2S — CID 89034759

IUPAC1-[2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
SMILESCC(F)c1nc(CCNC(=O)Nc2nc3ccc(-c4cccnc4)nc3s2)no1
InChIInChI=1S/C18H16FN7O2S/c1-10(19)15-24-14(26-28-15)6-8-21-17(27)25-18-23-13-5-4-12(22-16(13)29-18)11-3-2-7-20-9-11/h2-5,7,9-10H,6,8H2,1H3,(H2,21,23,25,27)
InChIKeyZGVNHDDKGSBNHU-UHFFFAOYSA-N
MW413.44 g/mol
LogP3.53
Rot. Bonds6

About 1-[2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea

1-[2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea (PubChem CID 89034759) has the molecular formula C18H16FN7O2S and a molecular weight of 413.44 g/mol. Its IUPAC name is 1-[2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-[2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
PubChem CID89034759
Molecular FormulaC18H16FN7O2S
Molecular Weight413.44 g/mol
Exact Mass413.11
IUPAC Name1-[2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
SMILESCC(F)c1nc(CCNC(=O)Nc2nc3ccc(-c4cccnc4)nc3s2)no1
InChIInChI=1S/C18H16FN7O2S/c1-10(19)15-24-14(26-28-15)6-8-21-17(27)25-18-23-13-5-4-12(22-16(13)29-18)11-3-2-7-20-9-11/h2-5,7,9-10H,6,8H2,1H3,(H2,21,23,25,27)
InChIKeyZGVNHDDKGSBNHU-UHFFFAOYSA-N
XLogP3.53
TPSA118.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The IUPAC name of 1-[2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea (CID 89034759) is 1-[2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea.
What is the SMILES notation for 1-[2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The canonical SMILES for 1-[2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea is CC(F)c1nc(CCNC(=O)Nc2nc3ccc(-c4cccnc4)nc3s2)no1.
What is the InChIKey of 1-[2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The InChIKey is ZGVNHDDKGSBNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN7O2S/c1-10(19)15-24-14(26-28-15)6-8-21-17(27)25-18-23-13-5-4-12(22-16(13)29-18)11-3-2-7-20-9-11/h2-5,7,9-10H,6,8H2,1H3,(H2,21,23,25,27).
What are the key properties of 1-[2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
1-[2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea has a molecular weight of 413.44 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(5-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea is sourced from PubChem (CID 89034759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).