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

C13H15ClN4S — CID 171334440

IUPAC5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C13H15ClN4S/c1-10-15-13(19-16-10)18-7-5-17(6-8-18)12-4-2-3-11(14)9-12/h2-4,9H,5-8H2,1H3
InChIKeyMJSSEBYYTYKFGZ-UHFFFAOYSA-N
MW294.81 g/mol
LogP2.83
Rot. Bonds2

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

5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole (PubChem CID 171334440) has the molecular formula C13H15ClN4S and a molecular weight of 294.81 g/mol. Its IUPAC name is 5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
PubChem CID171334440
Molecular FormulaC13H15ClN4S
Molecular Weight294.81 g/mol
Exact Mass294.07
IUPAC Name5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C13H15ClN4S/c1-10-15-13(19-16-10)18-7-5-17(6-8-18)12-4-2-3-11(14)9-12/h2-4,9H,5-8H2,1H3
InChIKeyMJSSEBYYTYKFGZ-UHFFFAOYSA-N
XLogP2.83
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133328030
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133320629
6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081569
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112724317
6-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122054013
2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine
CID 79075282
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133328044
1-(3-chlorophenyl)azonane
CID 145391535
5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile
CID 34309417
3-(methoxymethyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 171335535
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine
CID 83970369
2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 62753823

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole (CID 171334440) is 5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole is Cc1nsc(N2CCN(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole?
The InChIKey is MJSSEBYYTYKFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4S/c1-10-15-13(19-16-10)18-7-5-17(6-8-18)12-4-2-3-11(14)9-12/h2-4,9H,5-8H2,1H3.
What are the key properties of 5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole?
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole has a molecular weight of 294.81 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 171334440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).