[3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]phenyl]methanol

C18H14N2OS — CID 16662260

IUPAC[3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]phenyl]methanol
SMILESCc1nc(C#Cc2ccc(-c3cccc(CO)c3)nc2)cs1
InChIInChI=1S/C18H14N2OS/c1-13-20-17(12-22-13)7-5-14-6-8-18(19-10-14)16-4-2-3-15(9-16)11-21/h2-4,6,8-10,12,21H,11H2,1H3
InChIKeyPNZDHXFKDFJGKB-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.41
Rot. Bonds2

About [3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]phenyl]methanol

[3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]phenyl]methanol (PubChem CID 16662260) has the molecular formula C18H14N2OS and a molecular weight of 306.39 g/mol. Its IUPAC name is [3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]phenyl]methanol
PubChem CID16662260
Molecular FormulaC18H14N2OS
Molecular Weight306.39 g/mol
Exact Mass306.08
IUPAC Name[3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]phenyl]methanol
SMILESCc1nc(C#Cc2ccc(-c3cccc(CO)c3)nc2)cs1
InChIInChI=1S/C18H14N2OS/c1-13-20-17(12-22-13)7-5-14-6-8-18(19-10-14)16-4-2-3-15(9-16)11-21/h2-4,6,8-10,12,21H,11H2,1H3
InChIKeyPNZDHXFKDFJGKB-UHFFFAOYSA-N
XLogP3.41
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]phenyl]methanol?
The IUPAC name of [3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]phenyl]methanol (CID 16662260) is [3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]phenyl]methanol.
What is the SMILES notation for [3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]phenyl]methanol?
The canonical SMILES for [3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]phenyl]methanol is Cc1nc(C#Cc2ccc(-c3cccc(CO)c3)nc2)cs1.
What is the InChIKey of [3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]phenyl]methanol?
The InChIKey is PNZDHXFKDFJGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS/c1-13-20-17(12-22-13)7-5-14-6-8-18(19-10-14)16-4-2-3-15(9-16)11-21/h2-4,6,8-10,12,21H,11H2,1H3.
What are the key properties of [3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]phenyl]methanol?
[3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]phenyl]methanol has a molecular weight of 306.39 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]phenyl]methanol is sourced from PubChem (CID 16662260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).