2-fluoro-4-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenol

C12H11FN2OS — CID 136927540

IUPAC2-fluoro-4-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenol
SMILESOc1ccc(-c2nc3c(s2)CNCC3)cc1F
InChIInChI=1S/C12H11FN2OS/c13-8-5-7(1-2-10(8)16)12-15-9-3-4-14-6-11(9)17-12/h1-2,5,14,16H,3-4,6H2
InChIKeyUBXUEZRSUCOZPS-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.30
Rot. Bonds1

About 2-fluoro-4-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenol

2-fluoro-4-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenol (PubChem CID 136927540) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-fluoro-4-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenol.

Molecular Properties

Compound Name2-fluoro-4-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenol
PubChem CID136927540
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name2-fluoro-4-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenol
SMILESOc1ccc(-c2nc3c(s2)CNCC3)cc1F
InChIInChI=1S/C12H11FN2OS/c13-8-5-7(1-2-10(8)16)12-15-9-3-4-14-6-11(9)17-12/h1-2,5,14,16H,3-4,6H2
InChIKeyUBXUEZRSUCOZPS-UHFFFAOYSA-N
XLogP2.30
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenol?
The IUPAC name of 2-fluoro-4-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenol (CID 136927540) is 2-fluoro-4-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenol.
What is the SMILES notation for 2-fluoro-4-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenol?
The canonical SMILES for 2-fluoro-4-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenol is Oc1ccc(-c2nc3c(s2)CNCC3)cc1F.
What is the InChIKey of 2-fluoro-4-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenol?
The InChIKey is UBXUEZRSUCOZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c13-8-5-7(1-2-10(8)16)12-15-9-3-4-14-6-11(9)17-12/h1-2,5,14,16H,3-4,6H2.
What are the key properties of 2-fluoro-4-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenol?
2-fluoro-4-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenol has a molecular weight of 250.30 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)phenol is sourced from PubChem (CID 136927540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).