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

C19H22FN5S — CID 133457750

IUPAC2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESCn1ccnc1CC1CCN(c2nnc(Cc3ccc(F)cc3)s2)CC1
InChIInChI=1S/C19H22FN5S/c1-24-11-8-21-17(24)12-15-6-9-25(10-7-15)19-23-22-18(26-19)13-14-2-4-16(20)5-3-14/h2-5,8,11,15H,6-7,9-10,12-13H2,1H3
InChIKeyFRUJCNNJBZEQSB-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.46
Rot. Bonds5

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

2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole (PubChem CID 133457750) has the molecular formula C19H22FN5S and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole
PubChem CID133457750
Molecular FormulaC19H22FN5S
Molecular Weight371.49 g/mol
Exact Mass371.16
IUPAC Name2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESCn1ccnc1CC1CCN(c2nnc(Cc3ccc(F)cc3)s2)CC1
InChIInChI=1S/C19H22FN5S/c1-24-11-8-21-17(24)12-15-6-9-25(10-7-15)19-23-22-18(26-19)13-14-2-4-16(20)5-3-14/h2-5,8,11,15H,6-7,9-10,12-13H2,1H3
InChIKeyFRUJCNNJBZEQSB-UHFFFAOYSA-N
XLogP3.46
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole (CID 133457750) is 2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole is Cn1ccnc1CC1CCN(c2nnc(Cc3ccc(F)cc3)s2)CC1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is FRUJCNNJBZEQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5S/c1-24-11-8-21-17(24)12-15-6-9-25(10-7-15)19-23-22-18(26-19)13-14-2-4-16(20)5-3-14/h2-5,8,11,15H,6-7,9-10,12-13H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole?
2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 371.49 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 133457750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).