4-[1,3-bis[(4-fluorophenyl)methyl]-1,3-diazinan-2-yl]thiadiazole

C20H20F2N4S — CID 2738385

IUPAC4-[1,3-bis[(4-fluorophenyl)methyl]-1,3-diazinan-2-yl]thiadiazole
SMILESFc1ccc(CN2CCCN(Cc3ccc(F)cc3)C2c2csnn2)cc1
InChIInChI=1S/C20H20F2N4S/c21-17-6-2-15(3-7-17)12-25-10-1-11-26(20(25)19-14-27-24-23-19)13-16-4-8-18(22)9-5-16/h2-9,14,20H,1,10-13H2
InChIKeyKJYCQUBBXXCSPK-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.22
Rot. Bonds5

About 4-[1,3-bis[(4-fluorophenyl)methyl]-1,3-diazinan-2-yl]thiadiazole

4-[1,3-bis[(4-fluorophenyl)methyl]-1,3-diazinan-2-yl]thiadiazole (PubChem CID 2738385) has the molecular formula C20H20F2N4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-[1,3-bis[(4-fluorophenyl)methyl]-1,3-diazinan-2-yl]thiadiazole.

Molecular Properties

Compound Name4-[1,3-bis[(4-fluorophenyl)methyl]-1,3-diazinan-2-yl]thiadiazole
PubChem CID2738385
Molecular FormulaC20H20F2N4S
Molecular Weight386.47 g/mol
Exact Mass386.14
IUPAC Name4-[1,3-bis[(4-fluorophenyl)methyl]-1,3-diazinan-2-yl]thiadiazole
SMILESFc1ccc(CN2CCCN(Cc3ccc(F)cc3)C2c2csnn2)cc1
InChIInChI=1S/C20H20F2N4S/c21-17-6-2-15(3-7-17)12-25-10-1-11-26(20(25)19-14-27-24-23-19)13-16-4-8-18(22)9-5-16/h2-9,14,20H,1,10-13H2
InChIKeyKJYCQUBBXXCSPK-UHFFFAOYSA-N
XLogP4.22
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1,3-bis[(4-fluorophenyl)methyl]-1,3-diazinan-2-yl]thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-Fluorophenyl)-4-[[4-(3-fluorophenyl)piperazin-1-yl]methyl]thiadiazole
CID 163212380
5-(3-Fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole
CID 163212395
5-(2-Fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole
CID 163212402
4-[[4-(3-Fluorophenyl)piperazin-1-yl]methyl]-5-phenylthiadiazole
CID 163212412
5-(4-Fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole
CID 163212415
4-[1,3-Bis[(4-fluorophenyl)methyl]-1,3-diazinane-1,3-diium-2-yl]thiadiazole
CID 7221582
4-[[4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-chlorothiadiazole
CID 39975556
1-(3,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 61520845
1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 62223806
1-(2,5-difluorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 63793554
4-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]thiadiazole
CID 86785153
4-[[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole
CID 91648656

Frequently Asked Questions

What is the IUPAC name of 4-[1,3-bis[(4-fluorophenyl)methyl]-1,3-diazinan-2-yl]thiadiazole?
The IUPAC name of 4-[1,3-bis[(4-fluorophenyl)methyl]-1,3-diazinan-2-yl]thiadiazole (CID 2738385) is 4-[1,3-bis[(4-fluorophenyl)methyl]-1,3-diazinan-2-yl]thiadiazole.
What is the SMILES notation for 4-[1,3-bis[(4-fluorophenyl)methyl]-1,3-diazinan-2-yl]thiadiazole?
The canonical SMILES for 4-[1,3-bis[(4-fluorophenyl)methyl]-1,3-diazinan-2-yl]thiadiazole is Fc1ccc(CN2CCCN(Cc3ccc(F)cc3)C2c2csnn2)cc1.
What is the InChIKey of 4-[1,3-bis[(4-fluorophenyl)methyl]-1,3-diazinan-2-yl]thiadiazole?
The InChIKey is KJYCQUBBXXCSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4S/c21-17-6-2-15(3-7-17)12-25-10-1-11-26(20(25)19-14-27-24-23-19)13-16-4-8-18(22)9-5-16/h2-9,14,20H,1,10-13H2.
What are the key properties of 4-[1,3-bis[(4-fluorophenyl)methyl]-1,3-diazinan-2-yl]thiadiazole?
4-[1,3-bis[(4-fluorophenyl)methyl]-1,3-diazinan-2-yl]thiadiazole has a molecular weight of 386.47 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,3-bis[(4-fluorophenyl)methyl]-1,3-diazinan-2-yl]thiadiazole is sourced from PubChem (CID 2738385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).