2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazole

C18H21FN6S — CID 133457781

IUPAC2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazole
SMILESCn1ccnc1CN1CCN(c2nnc(Cc3ccc(F)cc3)s2)CC1
InChIInChI=1S/C18H21FN6S/c1-23-7-6-20-16(23)13-24-8-10-25(11-9-24)18-22-21-17(26-18)12-14-2-4-15(19)5-3-14/h2-7H,8-13H2,1H3
InChIKeyQEAHWZRLHFQWNP-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.32
Rot. Bonds5

About 2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazole

2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazole (PubChem CID 133457781) has the molecular formula C18H21FN6S and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazole
PubChem CID133457781
Molecular FormulaC18H21FN6S
Molecular Weight372.47 g/mol
Exact Mass372.15
IUPAC Name2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazole
SMILESCn1ccnc1CN1CCN(c2nnc(Cc3ccc(F)cc3)s2)CC1
InChIInChI=1S/C18H21FN6S/c1-23-7-6-20-16(23)13-24-8-10-25(11-9-24)18-22-21-17(26-18)12-14-2-4-15(19)5-3-14/h2-7H,8-13H2,1H3
InChIKeyQEAHWZRLHFQWNP-UHFFFAOYSA-N
XLogP2.32
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-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-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazole (CID 133457781) is 2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazole is Cn1ccnc1CN1CCN(c2nnc(Cc3ccc(F)cc3)s2)CC1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazole?
The InChIKey is QEAHWZRLHFQWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6S/c1-23-7-6-20-16(23)13-24-8-10-25(11-9-24)18-22-21-17(26-18)12-14-2-4-15(19)5-3-14/h2-7H,8-13H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazole?
2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazole has a molecular weight of 372.47 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 133457781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).