[5-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol

C13H16N2O2S — CID 71862201

IUPAC[5-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol
SMILESCCCc1nc(COc2ccc(CO)nc2)cs1
InChIInChI=1S/C13H16N2O2S/c1-2-3-13-15-11(9-18-13)8-17-12-5-4-10(7-16)14-6-12/h4-6,9,16H,2-3,7-8H2,1H3
InChIKeyYHBGYQIFNRCPMT-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.56
Rot. Bonds6

About [5-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol

[5-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol (PubChem CID 71862201) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is [5-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol
PubChem CID71862201
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name[5-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol
SMILESCCCc1nc(COc2ccc(CO)nc2)cs1
InChIInChI=1S/C13H16N2O2S/c1-2-3-13-15-11(9-18-13)8-17-12-5-4-10(7-16)14-6-12/h4-6,9,16H,2-3,7-8H2,1H3
InChIKeyYHBGYQIFNRCPMT-UHFFFAOYSA-N
XLogP2.56
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol?
The IUPAC name of [5-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol (CID 71862201) is [5-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol.
What is the SMILES notation for [5-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol?
The canonical SMILES for [5-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol is CCCc1nc(COc2ccc(CO)nc2)cs1.
What is the InChIKey of [5-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol?
The InChIKey is YHBGYQIFNRCPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-2-3-13-15-11(9-18-13)8-17-12-5-4-10(7-16)14-6-12/h4-6,9,16H,2-3,7-8H2,1H3.
What are the key properties of [5-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol?
[5-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol has a molecular weight of 264.35 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol is sourced from PubChem (CID 71862201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).