2-[(5-fluoro-2-pyridinyl)amino]-5-propan-2-yl-1,3-thiazol-4-ol

C11H12FN3OS — CID 91243732

IUPAC2-[(5-fluoro-2-pyridinyl)amino]-5-propan-2-yl-1,3-thiazol-4-ol
SMILESCC(C)c1sc(Nc2ccc(F)cn2)nc1O
InChIInChI=1S/C11H12FN3OS/c1-6(2)9-10(16)15-11(17-9)14-8-4-3-7(12)5-13-8/h3-6,16H,1-2H3,(H,13,14,15)
InChIKeyWHOFROSRFSLIML-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.25
Rot. Bonds3

About 2-[(5-fluoro-2-pyridinyl)amino]-5-propan-2-yl-1,3-thiazol-4-ol

2-[(5-fluoro-2-pyridinyl)amino]-5-propan-2-yl-1,3-thiazol-4-ol (PubChem CID 91243732) has the molecular formula C11H12FN3OS and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[(5-fluoro-2-pyridinyl)amino]-5-propan-2-yl-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[(5-fluoro-2-pyridinyl)amino]-5-propan-2-yl-1,3-thiazol-4-ol
PubChem CID91243732
Molecular FormulaC11H12FN3OS
Molecular Weight253.30 g/mol
Exact Mass253.07
IUPAC Name2-[(5-fluoro-2-pyridinyl)amino]-5-propan-2-yl-1,3-thiazol-4-ol
SMILESCC(C)c1sc(Nc2ccc(F)cn2)nc1O
InChIInChI=1S/C11H12FN3OS/c1-6(2)9-10(16)15-11(17-9)14-8-4-3-7(12)5-13-8/h3-6,16H,1-2H3,(H,13,14,15)
InChIKeyWHOFROSRFSLIML-UHFFFAOYSA-N
XLogP3.25
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-pyridinyl)amino]-5-propan-2-yl-1,3-thiazol-4-ol?
The IUPAC name of 2-[(5-fluoro-2-pyridinyl)amino]-5-propan-2-yl-1,3-thiazol-4-ol (CID 91243732) is 2-[(5-fluoro-2-pyridinyl)amino]-5-propan-2-yl-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[(5-fluoro-2-pyridinyl)amino]-5-propan-2-yl-1,3-thiazol-4-ol?
The canonical SMILES for 2-[(5-fluoro-2-pyridinyl)amino]-5-propan-2-yl-1,3-thiazol-4-ol is CC(C)c1sc(Nc2ccc(F)cn2)nc1O.
What is the InChIKey of 2-[(5-fluoro-2-pyridinyl)amino]-5-propan-2-yl-1,3-thiazol-4-ol?
The InChIKey is WHOFROSRFSLIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3OS/c1-6(2)9-10(16)15-11(17-9)14-8-4-3-7(12)5-13-8/h3-6,16H,1-2H3,(H,13,14,15).
What are the key properties of 2-[(5-fluoro-2-pyridinyl)amino]-5-propan-2-yl-1,3-thiazol-4-ol?
2-[(5-fluoro-2-pyridinyl)amino]-5-propan-2-yl-1,3-thiazol-4-ol has a molecular weight of 253.30 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-pyridinyl)amino]-5-propan-2-yl-1,3-thiazol-4-ol is sourced from PubChem (CID 91243732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).