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

C15H19ClN4OS — CID 133352350

IUPAC5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCN(c3cc(Cl)ccc3C)CC2)n1
InChIInChI=1S/C15H19ClN4OS/c1-11-3-4-12(16)9-13(11)19-5-7-20(8-6-19)15-17-14(10-21-2)18-22-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyATCJNMBUNMODEV-UHFFFAOYSA-N
MW338.86 g/mol
LogP2.97
Rot. Bonds4

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

5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole (PubChem CID 133352350) has the molecular formula C15H19ClN4OS and a molecular weight of 338.86 g/mol. Its IUPAC name is 5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
PubChem CID133352350
Molecular FormulaC15H19ClN4OS
Molecular Weight338.86 g/mol
Exact Mass338.10
IUPAC Name5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCN(c3cc(Cl)ccc3C)CC2)n1
InChIInChI=1S/C15H19ClN4OS/c1-11-3-4-12(16)9-13(11)19-5-7-20(8-6-19)15-17-14(10-21-2)18-22-15/h3-4,9H,5-8,10H2,1-2H3
InChIKeyATCJNMBUNMODEV-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole (CID 133352350) is 5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole is COCc1nsc(N2CCN(c3cc(Cl)ccc3C)CC2)n1.
What is the InChIKey of 5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The InChIKey is ATCJNMBUNMODEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4OS/c1-11-3-4-12(16)9-13(11)19-5-7-20(8-6-19)15-17-14(10-21-2)18-22-15/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole has a molecular weight of 338.86 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 133352350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).