5-chloro-4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]thiadiazole

C12H13Cl2N5S — CID 56820417

IUPAC5-chloro-4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]thiadiazole
SMILESClc1ccc(N2CCN(Cc3nnsc3Cl)CC2)nc1
InChIInChI=1S/C12H13Cl2N5S/c13-9-1-2-11(15-7-9)19-5-3-18(4-6-19)8-10-12(14)20-17-16-10/h1-2,7H,3-6,8H2
InChIKeyHZWUYGMCASTKFW-UHFFFAOYSA-N
MW330.24 g/mol
LogP2.56
Rot. Bonds3

About 5-chloro-4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]thiadiazole

5-chloro-4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]thiadiazole (PubChem CID 56820417) has the molecular formula C12H13Cl2N5S and a molecular weight of 330.24 g/mol. Its IUPAC name is 5-chloro-4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]thiadiazole
PubChem CID56820417
Molecular FormulaC12H13Cl2N5S
Molecular Weight330.24 g/mol
Exact Mass329.03
IUPAC Name5-chloro-4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]thiadiazole
SMILESClc1ccc(N2CCN(Cc3nnsc3Cl)CC2)nc1
InChIInChI=1S/C12H13Cl2N5S/c13-9-1-2-11(15-7-9)19-5-3-18(4-6-19)8-10-12(14)20-17-16-10/h1-2,7H,3-6,8H2
InChIKeyHZWUYGMCASTKFW-UHFFFAOYSA-N
XLogP2.56
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole
CID 39975318
5-chloro-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]thiadiazole
CID 36839861
5-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazole
CID 60671383
2-[3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]ethanamine;dihydrochloride
CID 154894733
4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-2-ethylpyrimidine
CID 77088933
1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-2-amine
CID 82167513
methyl 3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoate
CID 78977347
1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 63237417
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanesulfinate
CID 174401192
N-[4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 122157779
3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]benzoic acid
CID 122028627
3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 19958504

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]thiadiazole (CID 56820417) is 5-chloro-4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]thiadiazole is Clc1ccc(N2CCN(Cc3nnsc3Cl)CC2)nc1.
What is the InChIKey of 5-chloro-4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]thiadiazole?
The InChIKey is HZWUYGMCASTKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N5S/c13-9-1-2-11(15-7-9)19-5-3-18(4-6-19)8-10-12(14)20-17-16-10/h1-2,7H,3-6,8H2.
What are the key properties of 5-chloro-4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]thiadiazole?
5-chloro-4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]thiadiazole has a molecular weight of 330.24 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]thiadiazole is sourced from PubChem (CID 56820417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).