1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]pyrrolo[2,3-c]pyridin-2-ol

C14H9F2N5O2S — CID 175814787

IUPAC1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]pyrrolo[2,3-c]pyridin-2-ol
SMILESOc1cc2ccncc2n1Cc1ncc(-c2nnc(C(F)F)o2)s1
InChIInChI=1S/C14H9F2N5O2S/c15-12(16)14-20-19-13(23-14)9-5-18-10(24-9)6-21-8-4-17-2-1-7(8)3-11(21)22/h1-5,12,22H,6H2
InChIKeyQLFXHYCCUPEIIK-UHFFFAOYSA-N
MW349.32 g/mol
LogP3.23
Rot. Bonds4

About 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]pyrrolo[2,3-c]pyridin-2-ol

1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]pyrrolo[2,3-c]pyridin-2-ol (PubChem CID 175814787) has the molecular formula C14H9F2N5O2S and a molecular weight of 349.32 g/mol. Its IUPAC name is 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]pyrrolo[2,3-c]pyridin-2-ol.

Molecular Properties

Compound Name1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]pyrrolo[2,3-c]pyridin-2-ol
PubChem CID175814787
Molecular FormulaC14H9F2N5O2S
Molecular Weight349.32 g/mol
Exact Mass349.04
IUPAC Name1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]pyrrolo[2,3-c]pyridin-2-ol
SMILESOc1cc2ccncc2n1Cc1ncc(-c2nnc(C(F)F)o2)s1
InChIInChI=1S/C14H9F2N5O2S/c15-12(16)14-20-19-13(23-14)9-5-18-10(24-9)6-21-8-4-17-2-1-7(8)3-11(21)22/h1-5,12,22H,6H2
InChIKeyQLFXHYCCUPEIIK-UHFFFAOYSA-N
XLogP3.23
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]pyrrolo[2,3-c]pyridin-2-ol?
The IUPAC name of 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]pyrrolo[2,3-c]pyridin-2-ol (CID 175814787) is 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]pyrrolo[2,3-c]pyridin-2-ol.
What is the SMILES notation for 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]pyrrolo[2,3-c]pyridin-2-ol?
The canonical SMILES for 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]pyrrolo[2,3-c]pyridin-2-ol is Oc1cc2ccncc2n1Cc1ncc(-c2nnc(C(F)F)o2)s1.
What is the InChIKey of 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]pyrrolo[2,3-c]pyridin-2-ol?
The InChIKey is QLFXHYCCUPEIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N5O2S/c15-12(16)14-20-19-13(23-14)9-5-18-10(24-9)6-21-8-4-17-2-1-7(8)3-11(21)22/h1-5,12,22H,6H2.
What are the key properties of 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]pyrrolo[2,3-c]pyridin-2-ol?
1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]pyrrolo[2,3-c]pyridin-2-ol has a molecular weight of 349.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]pyrrolo[2,3-c]pyridin-2-ol is sourced from PubChem (CID 175814787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).