4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)-2-(4-piperidin-1-ylphenyl)-1,3-thiazole

C16H19N5S — CID 141311939

IUPAC4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)-2-(4-piperidin-1-ylphenyl)-1,3-thiazole
SMILESc1cc(N2CCCCC2)ccc1-c1nc(C2=NCNN2)cs1
InChIInChI=1S/C16H19N5S/c1-2-8-21(9-3-1)13-6-4-12(5-7-13)16-19-14(10-22-16)15-17-11-18-20-15/h4-7,10,18H,1-3,8-9,11H2,(H,17,20)
InChIKeyCHIBHOXCMGHUJO-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.61
Rot. Bonds3

About 4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)-2-(4-piperidin-1-ylphenyl)-1,3-thiazole

4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)-2-(4-piperidin-1-ylphenyl)-1,3-thiazole (PubChem CID 141311939) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)-2-(4-piperidin-1-ylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)-2-(4-piperidin-1-ylphenyl)-1,3-thiazole
PubChem CID141311939
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC Name4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)-2-(4-piperidin-1-ylphenyl)-1,3-thiazole
SMILESc1cc(N2CCCCC2)ccc1-c1nc(C2=NCNN2)cs1
InChIInChI=1S/C16H19N5S/c1-2-8-21(9-3-1)13-6-4-12(5-7-13)16-19-14(10-22-16)15-17-11-18-20-15/h4-7,10,18H,1-3,8-9,11H2,(H,17,20)
InChIKeyCHIBHOXCMGHUJO-UHFFFAOYSA-N
XLogP2.61
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze 4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)-2-(4-piperidin-1-ylphenyl)-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 4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)-2-(4-piperidin-1-ylphenyl)-1,3-thiazole?
The IUPAC name of 4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)-2-(4-piperidin-1-ylphenyl)-1,3-thiazole (CID 141311939) is 4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)-2-(4-piperidin-1-ylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)-2-(4-piperidin-1-ylphenyl)-1,3-thiazole?
The canonical SMILES for 4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)-2-(4-piperidin-1-ylphenyl)-1,3-thiazole is c1cc(N2CCCCC2)ccc1-c1nc(C2=NCNN2)cs1.
What is the InChIKey of 4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)-2-(4-piperidin-1-ylphenyl)-1,3-thiazole?
The InChIKey is CHIBHOXCMGHUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S/c1-2-8-21(9-3-1)13-6-4-12(5-7-13)16-19-14(10-22-16)15-17-11-18-20-15/h4-7,10,18H,1-3,8-9,11H2,(H,17,20).
What are the key properties of 4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)-2-(4-piperidin-1-ylphenyl)-1,3-thiazole?
4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)-2-(4-piperidin-1-ylphenyl)-1,3-thiazole has a molecular weight of 313.43 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-1,2,4-triazol-5-yl)-2-(4-piperidin-1-ylphenyl)-1,3-thiazole is sourced from PubChem (CID 141311939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).