(2,3-dichlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone

C14H14Cl2N4OS — CID 133328039

IUPAC(2,3-dichlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
SMILESCc1nsc(N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)n1
InChIInChI=1S/C14H14Cl2N4OS/c1-9-17-14(22-18-9)20-7-5-19(6-8-20)13(21)10-3-2-4-11(15)12(10)16/h2-4H,5-8H2,1H3
InChIKeySPQLIIMUTAXYNA-UHFFFAOYSA-N
MW357.27 g/mol
LogP3.12
Rot. Bonds2

About (2,3-dichlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone

(2,3-dichlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone (PubChem CID 133328039) has the molecular formula C14H14Cl2N4OS and a molecular weight of 357.27 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
PubChem CID133328039
Molecular FormulaC14H14Cl2N4OS
Molecular Weight357.27 g/mol
Exact Mass356.03
IUPAC Name(2,3-dichlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
SMILESCc1nsc(N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)n1
InChIInChI=1S/C14H14Cl2N4OS/c1-9-17-14(22-18-9)20-7-5-19(6-8-20)13(21)10-3-2-4-11(15)12(10)16/h2-4H,5-8H2,1H3
InChIKeySPQLIIMUTAXYNA-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-hydroxyphenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 71980627
(3-chlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133328030
(2,3-dichlorophenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
CID 133371366
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133328044
1H-indazol-3-yl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 75374117
(2,3-dichlorophenyl)-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
CID 166222970
[4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 86815233
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 171334440
[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 71983988
(2,3-dichlorophenyl)-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 55800119
[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 7577748
(2-chlorophenyl)-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539889

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone (CID 133328039) is (2,3-dichlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone is Cc1nsc(N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)n1.
What is the InChIKey of (2,3-dichlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is SPQLIIMUTAXYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4OS/c1-9-17-14(22-18-9)20-7-5-19(6-8-20)13(21)10-3-2-4-11(15)12(10)16/h2-4H,5-8H2,1H3.
What are the key properties of (2,3-dichlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone?
(2,3-dichlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 357.27 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 133328039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).