5-chloro-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazole

C9H15ClN4S — CID 43408474

IUPAC5-chloro-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazole
SMILESCCN1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C9H15ClN4S/c1-2-13-3-5-14(6-4-13)7-8-9(10)15-12-11-8/h2-7H2,1H3
InChIKeyDWZLVJHLISVSBY-UHFFFAOYSA-N
MW246.77 g/mol
LogP1.33
Rot. Bonds3

About 5-chloro-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazole

5-chloro-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazole (PubChem CID 43408474) has the molecular formula C9H15ClN4S and a molecular weight of 246.77 g/mol. Its IUPAC name is 5-chloro-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazole
PubChem CID43408474
Molecular FormulaC9H15ClN4S
Molecular Weight246.77 g/mol
Exact Mass246.07
IUPAC Name5-chloro-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazole
SMILESCCN1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C9H15ClN4S/c1-2-13-3-5-14(6-4-13)7-8-9(10)15-12-11-8/h2-7H2,1H3
InChIKeyDWZLVJHLISVSBY-UHFFFAOYSA-N
XLogP1.33
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.77
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chlorothiadiazol-4-yl)methyl]-N-propylpropan-1-amine
CID 43408567
N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine
CID 94183920
5-Chloro-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazole
CID 52367106
N-[(5-chlorothiadiazol-4-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 60890988
N-[(5-chlorothiadiazol-4-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 61518000
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 61605739
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 61605814
N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 61606018
N-[(5-chlorothiadiazol-4-yl)methyl]-2,2-difluoro-N-methylethanamine
CID 115611826
1-[(5-Chloro-1,2,3-thiadiazol-4-yl)methyl]-4,4-difluoropiperidine
CID 164657131
1-[(5-Chloro-1,2,3-thiadiazol-4-yl)methyl]piperidine
CID 1473724
4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethylpiperazine-1-sulfonamide
CID 31690140

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazole (CID 43408474) is 5-chloro-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazole is CCN1CCN(Cc2nnsc2Cl)CC1.
What is the InChIKey of 5-chloro-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazole?
The InChIKey is DWZLVJHLISVSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4S/c1-2-13-3-5-14(6-4-13)7-8-9(10)15-12-11-8/h2-7H2,1H3.
What are the key properties of 5-chloro-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazole?
5-chloro-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazole has a molecular weight of 246.77 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazole is sourced from PubChem (CID 43408474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).