3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-ethylpiperazin-1-yl)-1,2,5-thiadiazole

C15H18ClFN4OS — CID 43949858

IUPAC3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-ethylpiperazin-1-yl)-1,2,5-thiadiazole
SMILESCCN1CCN(c2nsnc2OCc2c(F)cccc2Cl)CC1
InChIInChI=1S/C15H18ClFN4OS/c1-2-20-6-8-21(9-7-20)14-15(19-23-18-14)22-10-11-12(16)4-3-5-13(11)17/h3-5H,2,6-10H2,1H3
InChIKeyWZGKFGCKRACKCV-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.05
Rot. Bonds5

About 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-ethylpiperazin-1-yl)-1,2,5-thiadiazole

3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-ethylpiperazin-1-yl)-1,2,5-thiadiazole (PubChem CID 43949858) has the molecular formula C15H18ClFN4OS and a molecular weight of 356.85 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-ethylpiperazin-1-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-ethylpiperazin-1-yl)-1,2,5-thiadiazole
PubChem CID43949858
Molecular FormulaC15H18ClFN4OS
Molecular Weight356.85 g/mol
Exact Mass356.09
IUPAC Name3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-ethylpiperazin-1-yl)-1,2,5-thiadiazole
SMILESCCN1CCN(c2nsnc2OCc2c(F)cccc2Cl)CC1
InChIInChI=1S/C15H18ClFN4OS/c1-2-20-6-8-21(9-7-20)14-15(19-23-18-14)22-10-11-12(16)4-3-5-13(11)17/h3-5H,2,6-10H2,1H3
InChIKeyWZGKFGCKRACKCV-UHFFFAOYSA-N
XLogP3.05
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-chloro-6-fluorophenyl)methoxy]-4-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,5-thiadiazole
CID 43949763
3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2-ethylpiperidin-1-yl)-1,2,5-thiadiazole
CID 43949668
3-(4-ethylpiperazin-1-yl)-4-(2-methylpropoxy)-1,2,5-thiadiazole
CID 43949855
N-[(2-chloro-6-fluorophenyl)methyl]-N-[[4-[[4-(3-propan-2-yl-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methyl]ethanamine
CID 90121977
4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-5-fluoroquinazoline
CID 55855492
3-(4-benzhydrylpiperazin-1-yl)-4-[(3,4-dichlorophenyl)methoxy]-1,2,5-thiadiazole
CID 43949835
4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 55470487
3-propoxy-4-pyrrolidin-1-yl-1,2,5-thiadiazole
CID 43949481
propan-2-yl 2-[4-[[4-[(2-chloro-6-fluorophenyl)methoxymethyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 67322084
4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 136580237
(2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
CID 51992135
1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 71174684

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-ethylpiperazin-1-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-ethylpiperazin-1-yl)-1,2,5-thiadiazole (CID 43949858) is 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-ethylpiperazin-1-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-ethylpiperazin-1-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-ethylpiperazin-1-yl)-1,2,5-thiadiazole is CCN1CCN(c2nsnc2OCc2c(F)cccc2Cl)CC1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-ethylpiperazin-1-yl)-1,2,5-thiadiazole?
The InChIKey is WZGKFGCKRACKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN4OS/c1-2-20-6-8-21(9-7-20)14-15(19-23-18-14)22-10-11-12(16)4-3-5-13(11)17/h3-5H,2,6-10H2,1H3.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-ethylpiperazin-1-yl)-1,2,5-thiadiazole?
3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-ethylpiperazin-1-yl)-1,2,5-thiadiazole has a molecular weight of 356.85 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-ethylpiperazin-1-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 43949858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).