3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]prop-2-yn-1-ol

C14H10N2OS — CID 11608542

IUPAC3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]prop-2-yn-1-ol
SMILESCc1nc(C#Cc2cncc(C#CCO)c2)cs1
InChIInChI=1S/C14H10N2OS/c1-11-16-14(10-18-11)5-4-13-7-12(3-2-6-17)8-15-9-13/h7-10,17H,6H2,1H3
InChIKeyBJHXXZFLVMWWEJ-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.59
Rot. Bonds

About 3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]prop-2-yn-1-ol

3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]prop-2-yn-1-ol (PubChem CID 11608542) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]prop-2-yn-1-ol
PubChem CID11608542
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]prop-2-yn-1-ol
SMILESCc1nc(C#Cc2cncc(C#CCO)c2)cs1
InChIInChI=1S/C14H10N2OS/c1-11-16-14(10-18-11)5-4-13-7-12(3-2-6-17)8-15-9-13/h7-10,17H,6H2,1H3
InChIKeyBJHXXZFLVMWWEJ-UHFFFAOYSA-N
XLogP1.59
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]prop-2-yn-1-ol 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 3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]prop-2-yn-1-ol (CID 11608542) is 3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]prop-2-yn-1-ol is Cc1nc(C#Cc2cncc(C#CCO)c2)cs1.
What is the InChIKey of 3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]prop-2-yn-1-ol?
The InChIKey is BJHXXZFLVMWWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c1-11-16-14(10-18-11)5-4-13-7-12(3-2-6-17)8-15-9-13/h7-10,17H,6H2,1H3.
What are the key properties of 3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]prop-2-yn-1-ol?
3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-pyridinyl]prop-2-yn-1-ol has a molecular weight of 254.31 g/mol, XLogP of 1.59, 0 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]-3-pyridinyl]prop-2-yn-1-ol is sourced from PubChem (CID 11608542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).