3-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,5-thiadiazole

C13H15ClN4OS — CID 43808214

IUPAC3-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,5-thiadiazole
SMILESCOc1cccc(N2CCN(c3nsnc3Cl)CC2)c1
InChIInChI=1S/C13H15ClN4OS/c1-19-11-4-2-3-10(9-11)17-5-7-18(8-6-17)13-12(14)15-20-16-13/h2-4,9H,5-8H2,1H3
InChIKeyHWQBXYHRDLJHIV-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.53
Rot. Bonds3

About 3-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,5-thiadiazole

3-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,5-thiadiazole (PubChem CID 43808214) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is 3-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,5-thiadiazole
PubChem CID43808214
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC Name3-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,5-thiadiazole
SMILESCOc1cccc(N2CCN(c3nsnc3Cl)CC2)c1
InChIInChI=1S/C13H15ClN4OS/c1-19-11-4-2-3-10(9-11)17-5-7-18(8-6-17)13-12(14)15-20-16-13/h2-4,9H,5-8H2,1H3
InChIKeyHWQBXYHRDLJHIV-UHFFFAOYSA-N
XLogP2.53
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine
CID 19627773
[2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methanamine
CID 43823491
1-(3-methoxyphenyl)azepane
CID 57276431
4-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 133282077
(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 9372250
1-(2-chloroethenyl)-4-(3-methoxyphenyl)piperazine
CID 174430054
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 28792674
1-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 154829029
5-chloro-2-[4-(3-methoxyphenyl)piperazin-1-yl]benzonitrile
CID 133282150
3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 163352079
4-(3-methoxyphenyl)piperazine-1-carbaldehyde
CID 22945750

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,5-thiadiazole (CID 43808214) is 3-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,5-thiadiazole is COc1cccc(N2CCN(c3nsnc3Cl)CC2)c1.
What is the InChIKey of 3-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,5-thiadiazole?
The InChIKey is HWQBXYHRDLJHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4OS/c1-19-11-4-2-3-10(9-11)17-5-7-18(8-6-17)13-12(14)15-20-16-13/h2-4,9H,5-8H2,1H3.
What are the key properties of 3-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,5-thiadiazole?
3-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,5-thiadiazole has a molecular weight of 310.81 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,5-thiadiazole is sourced from PubChem (CID 43808214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).