5-(1-methylindazol-6-yl)-2-(2-piperidin-4-ylethynyl)-1,3-thiazole

C18H18N4S — CID 168926505

IUPAC5-(1-methylindazol-6-yl)-2-(2-piperidin-4-ylethynyl)-1,3-thiazole
SMILESCn1ncc2ccc(-c3cnc(C#CC4CCNCC4)s3)cc21
InChIInChI=1S/C18H18N4S/c1-22-16-10-14(3-4-15(16)11-21-22)17-12-20-18(23-17)5-2-13-6-8-19-9-7-13/h3-4,10-13,19H,6-9H2,1H3
InChIKeyBRFUYTUDKCALJP-UHFFFAOYSA-N
MW322.44 g/mol
LogP3.05
Rot. Bonds1

About 5-(1-methylindazol-6-yl)-2-(2-piperidin-4-ylethynyl)-1,3-thiazole

5-(1-methylindazol-6-yl)-2-(2-piperidin-4-ylethynyl)-1,3-thiazole (PubChem CID 168926505) has the molecular formula C18H18N4S and a molecular weight of 322.44 g/mol. Its IUPAC name is 5-(1-methylindazol-6-yl)-2-(2-piperidin-4-ylethynyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(1-methylindazol-6-yl)-2-(2-piperidin-4-ylethynyl)-1,3-thiazole
PubChem CID168926505
Molecular FormulaC18H18N4S
Molecular Weight322.44 g/mol
Exact Mass322.13
IUPAC Name5-(1-methylindazol-6-yl)-2-(2-piperidin-4-ylethynyl)-1,3-thiazole
SMILESCn1ncc2ccc(-c3cnc(C#CC4CCNCC4)s3)cc21
InChIInChI=1S/C18H18N4S/c1-22-16-10-14(3-4-15(16)11-21-22)17-12-20-18(23-17)5-2-13-6-8-19-9-7-13/h3-4,10-13,19H,6-9H2,1H3
InChIKeyBRFUYTUDKCALJP-UHFFFAOYSA-N
XLogP3.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(1-methylindazol-6-yl)-2-(2-piperidin-4-ylethynyl)-1,3-thiazole 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 5-(1-methylindazol-6-yl)-2-(2-piperidin-4-ylethynyl)-1,3-thiazole?
The IUPAC name of 5-(1-methylindazol-6-yl)-2-(2-piperidin-4-ylethynyl)-1,3-thiazole (CID 168926505) is 5-(1-methylindazol-6-yl)-2-(2-piperidin-4-ylethynyl)-1,3-thiazole.
What is the SMILES notation for 5-(1-methylindazol-6-yl)-2-(2-piperidin-4-ylethynyl)-1,3-thiazole?
The canonical SMILES for 5-(1-methylindazol-6-yl)-2-(2-piperidin-4-ylethynyl)-1,3-thiazole is Cn1ncc2ccc(-c3cnc(C#CC4CCNCC4)s3)cc21.
What is the InChIKey of 5-(1-methylindazol-6-yl)-2-(2-piperidin-4-ylethynyl)-1,3-thiazole?
The InChIKey is BRFUYTUDKCALJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4S/c1-22-16-10-14(3-4-15(16)11-21-22)17-12-20-18(23-17)5-2-13-6-8-19-9-7-13/h3-4,10-13,19H,6-9H2,1H3.
What are the key properties of 5-(1-methylindazol-6-yl)-2-(2-piperidin-4-ylethynyl)-1,3-thiazole?
5-(1-methylindazol-6-yl)-2-(2-piperidin-4-ylethynyl)-1,3-thiazole has a molecular weight of 322.44 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylindazol-6-yl)-2-(2-piperidin-4-ylethynyl)-1,3-thiazole is sourced from PubChem (CID 168926505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).