5-[4-(2-chlorophenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole

C14H17ClN4OS — CID 133352086

IUPAC5-[4-(2-chlorophenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCN(c3ccccc3Cl)CC2)n1
InChIInChI=1S/C14H17ClN4OS/c1-20-10-13-16-14(21-17-13)19-8-6-18(7-9-19)12-5-3-2-4-11(12)15/h2-5H,6-10H2,1H3
InChIKeyNHYPXUNOVVTICR-UHFFFAOYSA-N
MW324.84 g/mol
LogP2.66
Rot. Bonds4

About 5-[4-(2-chlorophenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole

5-[4-(2-chlorophenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole (PubChem CID 133352086) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 5-[4-(2-chlorophenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(2-chlorophenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
PubChem CID133352086
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name5-[4-(2-chlorophenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCN(c3ccccc3Cl)CC2)n1
InChIInChI=1S/C14H17ClN4OS/c1-20-10-13-16-14(21-17-13)19-8-6-18(7-9-19)12-5-3-2-4-11(12)15/h2-5H,6-10H2,1H3
InChIKeyNHYPXUNOVVTICR-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-chlorophenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(2-chlorophenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole (CID 133352086) is 5-[4-(2-chlorophenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(2-chlorophenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(2-chlorophenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole is COCc1nsc(N2CCN(c3ccccc3Cl)CC2)n1.
What is the InChIKey of 5-[4-(2-chlorophenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The InChIKey is NHYPXUNOVVTICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-20-10-13-16-14(21-17-13)19-8-6-18(7-9-19)12-5-3-2-4-11(12)15/h2-5H,6-10H2,1H3.
What are the key properties of 5-[4-(2-chlorophenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
5-[4-(2-chlorophenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole has a molecular weight of 324.84 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-chlorophenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 133352086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).