(4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol

C18H12ClFN4OS — CID 66749334

IUPAC(4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol
SMILESOC(c1ccc(Cl)cc1)c1cc(-c2ccnc(F)c2)sc1-c1ncn[nH]1
InChIInChI=1S/C18H12ClFN4OS/c19-12-3-1-10(2-4-12)16(25)13-8-14(11-5-6-21-15(20)7-11)26-17(13)18-22-9-23-24-18/h1-9,16,25H,(H,22,23,24)
InChIKeyZWZHBQNBFMESER-UHFFFAOYSA-N
MW386.84 g/mol
LogP4.47
Rot. Bonds4

About (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol

(4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol (PubChem CID 66749334) has the molecular formula C18H12ClFN4OS and a molecular weight of 386.84 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol
PubChem CID66749334
Molecular FormulaC18H12ClFN4OS
Molecular Weight386.84 g/mol
Exact Mass386.04
IUPAC Name(4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol
SMILESOC(c1ccc(Cl)cc1)c1cc(-c2ccnc(F)c2)sc1-c1ncn[nH]1
InChIInChI=1S/C18H12ClFN4OS/c19-12-3-1-10(2-4-12)16(25)13-8-14(11-5-6-21-15(20)7-11)26-17(13)18-22-9-23-24-18/h1-9,16,25H,(H,22,23,24)
InChIKeyZWZHBQNBFMESER-UHFFFAOYSA-N
XLogP4.47
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol?
The IUPAC name of (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol (CID 66749334) is (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol.
What is the SMILES notation for (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol?
The canonical SMILES for (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol is OC(c1ccc(Cl)cc1)c1cc(-c2ccnc(F)c2)sc1-c1ncn[nH]1.
What is the InChIKey of (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol?
The InChIKey is ZWZHBQNBFMESER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4OS/c19-12-3-1-10(2-4-12)16(25)13-8-14(11-5-6-21-15(20)7-11)26-17(13)18-22-9-23-24-18/h1-9,16,25H,(H,22,23,24).
What are the key properties of (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol?
(4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol has a molecular weight of 386.84 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]methanol is sourced from PubChem (CID 66749334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).