(4-chloro-2-pyridin-3-yloxy-1,3-thiazol-5-yl)methanol

C9H7ClN2O2S — CID 80692815

IUPAC(4-chloro-2-pyridin-3-yloxy-1,3-thiazol-5-yl)methanol
SMILESOCc1sc(Oc2cccnc2)nc1Cl
InChIInChI=1S/C9H7ClN2O2S/c10-8-7(5-13)15-9(12-8)14-6-2-1-3-11-4-6/h1-4,13H,5H2
InChIKeyWQTYMCXUTMZCIK-UHFFFAOYSA-N
MW242.69 g/mol
LogP2.48
Rot. Bonds3

About (4-chloro-2-pyridin-3-yloxy-1,3-thiazol-5-yl)methanol

(4-chloro-2-pyridin-3-yloxy-1,3-thiazol-5-yl)methanol (PubChem CID 80692815) has the molecular formula C9H7ClN2O2S and a molecular weight of 242.69 g/mol. Its IUPAC name is (4-chloro-2-pyridin-3-yloxy-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-chloro-2-pyridin-3-yloxy-1,3-thiazol-5-yl)methanol
PubChem CID80692815
Molecular FormulaC9H7ClN2O2S
Molecular Weight242.69 g/mol
Exact Mass241.99
IUPAC Name(4-chloro-2-pyridin-3-yloxy-1,3-thiazol-5-yl)methanol
SMILESOCc1sc(Oc2cccnc2)nc1Cl
InChIInChI=1S/C9H7ClN2O2S/c10-8-7(5-13)15-9(12-8)14-6-2-1-3-11-4-6/h1-4,13H,5H2
InChIKeyWQTYMCXUTMZCIK-UHFFFAOYSA-N
XLogP2.48
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-pyridin-3-yloxy-1,3-thiazol-5-yl)methanol?
The IUPAC name of (4-chloro-2-pyridin-3-yloxy-1,3-thiazol-5-yl)methanol (CID 80692815) is (4-chloro-2-pyridin-3-yloxy-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (4-chloro-2-pyridin-3-yloxy-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (4-chloro-2-pyridin-3-yloxy-1,3-thiazol-5-yl)methanol is OCc1sc(Oc2cccnc2)nc1Cl.
What is the InChIKey of (4-chloro-2-pyridin-3-yloxy-1,3-thiazol-5-yl)methanol?
The InChIKey is WQTYMCXUTMZCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S/c10-8-7(5-13)15-9(12-8)14-6-2-1-3-11-4-6/h1-4,13H,5H2.
What are the key properties of (4-chloro-2-pyridin-3-yloxy-1,3-thiazol-5-yl)methanol?
(4-chloro-2-pyridin-3-yloxy-1,3-thiazol-5-yl)methanol has a molecular weight of 242.69 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-pyridin-3-yloxy-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 80692815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).