1-[4-(furan-3-yl)-1,3-thiazol-2-yl]-1-pyridin-3-ylethanol

C14H12N2O2S — CID 46943850

IUPAC1-[4-(furan-3-yl)-1,3-thiazol-2-yl]-1-pyridin-3-ylethanol
SMILESCC(O)(c1cccnc1)c1nc(-c2ccoc2)cs1
InChIInChI=1S/C14H12N2O2S/c1-14(17,11-3-2-5-15-7-11)13-16-12(9-19-13)10-4-6-18-8-10/h2-9,17H,1H3
InChIKeyMYQXITIDYDAKBV-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.05
Rot. Bonds3

About 1-[4-(furan-3-yl)-1,3-thiazol-2-yl]-1-pyridin-3-ylethanol

1-[4-(furan-3-yl)-1,3-thiazol-2-yl]-1-pyridin-3-ylethanol (PubChem CID 46943850) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-[4-(furan-3-yl)-1,3-thiazol-2-yl]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name1-[4-(furan-3-yl)-1,3-thiazol-2-yl]-1-pyridin-3-ylethanol
PubChem CID46943850
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name1-[4-(furan-3-yl)-1,3-thiazol-2-yl]-1-pyridin-3-ylethanol
SMILESCC(O)(c1cccnc1)c1nc(-c2ccoc2)cs1
InChIInChI=1S/C14H12N2O2S/c1-14(17,11-3-2-5-15-7-11)13-16-12(9-19-13)10-4-6-18-8-10/h2-9,17H,1H3
InChIKeyMYQXITIDYDAKBV-UHFFFAOYSA-N
XLogP3.05
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-3-yl)-1,3-thiazol-2-yl]-1-pyridin-3-ylethanol?
The IUPAC name of 1-[4-(furan-3-yl)-1,3-thiazol-2-yl]-1-pyridin-3-ylethanol (CID 46943850) is 1-[4-(furan-3-yl)-1,3-thiazol-2-yl]-1-pyridin-3-ylethanol.
What is the SMILES notation for 1-[4-(furan-3-yl)-1,3-thiazol-2-yl]-1-pyridin-3-ylethanol?
The canonical SMILES for 1-[4-(furan-3-yl)-1,3-thiazol-2-yl]-1-pyridin-3-ylethanol is CC(O)(c1cccnc1)c1nc(-c2ccoc2)cs1.
What is the InChIKey of 1-[4-(furan-3-yl)-1,3-thiazol-2-yl]-1-pyridin-3-ylethanol?
The InChIKey is MYQXITIDYDAKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-14(17,11-3-2-5-15-7-11)13-16-12(9-19-13)10-4-6-18-8-10/h2-9,17H,1H3.
What are the key properties of 1-[4-(furan-3-yl)-1,3-thiazol-2-yl]-1-pyridin-3-ylethanol?
1-[4-(furan-3-yl)-1,3-thiazol-2-yl]-1-pyridin-3-ylethanol has a molecular weight of 272.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-3-yl)-1,3-thiazol-2-yl]-1-pyridin-3-ylethanol is sourced from PubChem (CID 46943850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).