2-methyl-5-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole

C17H20N6S — CID 126836431

IUPAC2-methyl-5-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
SMILESCc1nnc(CN2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)s1
InChIInChI=1S/C17H20N6S/c1-12-19-22-17(24-12)11-23-8-4-14(5-9-23)16-10-15(20-21-16)13-2-6-18-7-3-13/h2-3,6-7,10,14H,4-5,8-9,11H2,1H3,(H,20,21)
InChIKeyDUMGLWXRFONXNX-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.01
Rot. Bonds4

About 2-methyl-5-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole

2-methyl-5-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole (PubChem CID 126836431) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is 2-methyl-5-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
PubChem CID126836431
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name2-methyl-5-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
SMILESCc1nnc(CN2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)s1
InChIInChI=1S/C17H20N6S/c1-12-19-22-17(24-12)11-23-8-4-14(5-9-23)16-10-15(20-21-16)13-2-6-18-7-3-13/h2-3,6-7,10,14H,4-5,8-9,11H2,1H3,(H,20,21)
InChIKeyDUMGLWXRFONXNX-UHFFFAOYSA-N
XLogP3.01
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole 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 2-methyl-5-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole (CID 126836431) is 2-methyl-5-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole is Cc1nnc(CN2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)s1.
What is the InChIKey of 2-methyl-5-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole?
The InChIKey is DUMGLWXRFONXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-12-19-22-17(24-12)11-23-8-4-14(5-9-23)16-10-15(20-21-16)13-2-6-18-7-3-13/h2-3,6-7,10,14H,4-5,8-9,11H2,1H3,(H,20,21).
What are the key properties of 2-methyl-5-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole?
2-methyl-5-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole has a molecular weight of 340.46 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 126836431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).