5-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazole

C13H14ClFN4S — CID 60671383

IUPAC5-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazole
SMILESFc1ccccc1N1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C13H14ClFN4S/c14-13-11(16-17-20-13)9-18-5-7-19(8-6-18)12-4-2-1-3-10(12)15/h1-4H,5-9H2
InChIKeyWBXHLQRCJDRRHJ-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.65
Rot. Bonds3

About 5-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazole

5-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazole (PubChem CID 60671383) has the molecular formula C13H14ClFN4S and a molecular weight of 312.80 g/mol. Its IUPAC name is 5-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazole
PubChem CID60671383
Molecular FormulaC13H14ClFN4S
Molecular Weight312.80 g/mol
Exact Mass312.06
IUPAC Name5-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazole
SMILESFc1ccccc1N1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C13H14ClFN4S/c14-13-11(16-17-20-13)9-18-5-7-19(8-6-18)12-4-2-1-3-10(12)15/h1-4H,5-9H2
InChIKeyWBXHLQRCJDRRHJ-UHFFFAOYSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole
CID 36839160
5-chloro-4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]thiadiazole
CID 56820417
1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 750916
3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 154882662
5-(2-chlorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 1484776
2-(2-chlorophenyl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 17409652
5-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]thiadiazole
CID 55037270
2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]acetonitrile
CID 94722706
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 154828993
5-(2-chlorophenyl)-4-[[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methyl]thiadiazole
CID 163212403
5-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1,3,4-thiadiazol-2-amine;hydrochloride
CID 19932960
N-[2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride
CID 174377053

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazole (CID 60671383) is 5-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazole is Fc1ccccc1N1CCN(Cc2nnsc2Cl)CC1.
What is the InChIKey of 5-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazole?
The InChIKey is WBXHLQRCJDRRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4S/c14-13-11(16-17-20-13)9-18-5-7-19(8-6-18)12-4-2-1-3-10(12)15/h1-4H,5-9H2.
What are the key properties of 5-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazole?
5-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazole has a molecular weight of 312.80 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazole is sourced from PubChem (CID 60671383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).