[2-(6-chloro-3-pyridinyl)-5-ethyl-1,3-thiazol-4-yl]methanol

C11H11ClN2OS — CID 122476802

IUPAC[2-(6-chloro-3-pyridinyl)-5-ethyl-1,3-thiazol-4-yl]methanol
SMILESCCc1sc(-c2ccc(Cl)nc2)nc1CO
InChIInChI=1S/C11H11ClN2OS/c1-2-9-8(6-15)14-11(16-9)7-3-4-10(12)13-5-7/h3-5,15H,2,6H2,1H3
InChIKeyJIIDOROLKCNLMD-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.91
Rot. Bonds3

About [2-(6-chloro-3-pyridinyl)-5-ethyl-1,3-thiazol-4-yl]methanol

[2-(6-chloro-3-pyridinyl)-5-ethyl-1,3-thiazol-4-yl]methanol (PubChem CID 122476802) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is [2-(6-chloro-3-pyridinyl)-5-ethyl-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(6-chloro-3-pyridinyl)-5-ethyl-1,3-thiazol-4-yl]methanol
PubChem CID122476802
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name[2-(6-chloro-3-pyridinyl)-5-ethyl-1,3-thiazol-4-yl]methanol
SMILESCCc1sc(-c2ccc(Cl)nc2)nc1CO
InChIInChI=1S/C11H11ClN2OS/c1-2-9-8(6-15)14-11(16-9)7-3-4-10(12)13-5-7/h3-5,15H,2,6H2,1H3
InChIKeyJIIDOROLKCNLMD-UHFFFAOYSA-N
XLogP2.91
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(6-chloro-3-pyridinyl)-5-ethyl-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(6-chloro-3-pyridinyl)-5-ethyl-1,3-thiazol-4-yl]methanol (CID 122476802) is [2-(6-chloro-3-pyridinyl)-5-ethyl-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(6-chloro-3-pyridinyl)-5-ethyl-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(6-chloro-3-pyridinyl)-5-ethyl-1,3-thiazol-4-yl]methanol is CCc1sc(-c2ccc(Cl)nc2)nc1CO.
What is the InChIKey of [2-(6-chloro-3-pyridinyl)-5-ethyl-1,3-thiazol-4-yl]methanol?
The InChIKey is JIIDOROLKCNLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-2-9-8(6-15)14-11(16-9)7-3-4-10(12)13-5-7/h3-5,15H,2,6H2,1H3.
What are the key properties of [2-(6-chloro-3-pyridinyl)-5-ethyl-1,3-thiazol-4-yl]methanol?
[2-(6-chloro-3-pyridinyl)-5-ethyl-1,3-thiazol-4-yl]methanol has a molecular weight of 254.74 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-chloro-3-pyridinyl)-5-ethyl-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 122476802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).