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

C14H17ClN4OS — CID 36839160

IUPAC5-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole
SMILESCOc1ccccc1N1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C14H17ClN4OS/c1-20-13-5-3-2-4-12(13)19-8-6-18(7-9-19)10-11-14(15)21-17-16-11/h2-5H,6-10H2,1H3
InChIKeyGHIWIHYRGYRMIM-UHFFFAOYSA-N
MW324.84 g/mol
LogP2.52
Rot. Bonds4

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

5-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole (PubChem CID 36839160) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 5-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole
PubChem CID36839160
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name5-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole
SMILESCOc1ccccc1N1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C14H17ClN4OS/c1-20-13-5-3-2-4-12(13)19-8-6-18(7-9-19)10-11-14(15)21-17-16-11/h2-5H,6-10H2,1H3
InChIKeyGHIWIHYRGYRMIM-UHFFFAOYSA-N
XLogP2.52
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazole
CID 60671383
5-chloro-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole
CID 39975318
5-(2-chlorophenyl)-4-[[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methyl]thiadiazole
CID 163212403
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiadiazole
CID 36839861
1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763703
1-[(4-chloro-1-phenylpyrazol-3-yl)methyl]-4-(2-methoxyphenyl)-1,4-diazepane
CID 70809660
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 43216810
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 8687109
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole (CID 36839160) is 5-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole is COc1ccccc1N1CCN(Cc2nnsc2Cl)CC1.
What is the InChIKey of 5-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole?
The InChIKey is GHIWIHYRGYRMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-20-13-5-3-2-4-12(13)19-8-6-18(7-9-19)10-11-14(15)21-17-16-11/h2-5H,6-10H2,1H3.
What are the key properties of 5-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole?
5-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole has a molecular weight of 324.84 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole is sourced from PubChem (CID 36839160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).