2-chloro-5-[(2,5-diethylpiperazin-1-yl)methyl]-1,3,4-thiadiazole

C11H19ClN4S — CID 80606647

IUPAC2-chloro-5-[(2,5-diethylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
SMILESCCC1CN(Cc2nnc(Cl)s2)C(CC)CN1
InChIInChI=1S/C11H19ClN4S/c1-3-8-6-16(9(4-2)5-13-8)7-10-14-15-11(12)17-10/h8-9,13H,3-7H2,1-2H3
InChIKeyMIPHSXZWWIVARC-UHFFFAOYSA-N
MW274.82 g/mol
LogP2.15
Rot. Bonds4

About 2-chloro-5-[(2,5-diethylpiperazin-1-yl)methyl]-1,3,4-thiadiazole

2-chloro-5-[(2,5-diethylpiperazin-1-yl)methyl]-1,3,4-thiadiazole (PubChem CID 80606647) has the molecular formula C11H19ClN4S and a molecular weight of 274.82 g/mol. Its IUPAC name is 2-chloro-5-[(2,5-diethylpiperazin-1-yl)methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-[(2,5-diethylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
PubChem CID80606647
Molecular FormulaC11H19ClN4S
Molecular Weight274.82 g/mol
Exact Mass274.10
IUPAC Name2-chloro-5-[(2,5-diethylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
SMILESCCC1CN(Cc2nnc(Cl)s2)C(CC)CN1
InChIInChI=1S/C11H19ClN4S/c1-3-8-6-16(9(4-2)5-13-8)7-10-14-15-11(12)17-10/h8-9,13H,3-7H2,1-2H3
InChIKeyMIPHSXZWWIVARC-UHFFFAOYSA-N
XLogP2.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 64946674
1-[(3,5-dichlorophenyl)methyl]-2,5-diethylpiperazine
CID 64977817
1-[(3,4-dichlorophenyl)methyl]-2,5-diethylpiperazine
CID 64842881
2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine
CID 64842304
2,5-diethyl-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 64977800
1-[(2-chloro-3-pyridinyl)methyl]-2,5-diethylpiperazine
CID 64979145
5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 64978637
5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 64978789
5-cyclopropyl-3-[(2,5-diethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 64978825
1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2,5-diethylpiperazine
CID 64978599
4-[(2,5-diethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
CID 64978673
1-[(5-bromothiophen-3-yl)methyl]-2,5-diethylpiperazine
CID 64978692

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,5-diethylpiperazin-1-yl)methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-[(2,5-diethylpiperazin-1-yl)methyl]-1,3,4-thiadiazole (CID 80606647) is 2-chloro-5-[(2,5-diethylpiperazin-1-yl)methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-[(2,5-diethylpiperazin-1-yl)methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-[(2,5-diethylpiperazin-1-yl)methyl]-1,3,4-thiadiazole is CCC1CN(Cc2nnc(Cl)s2)C(CC)CN1.
What is the InChIKey of 2-chloro-5-[(2,5-diethylpiperazin-1-yl)methyl]-1,3,4-thiadiazole?
The InChIKey is MIPHSXZWWIVARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4S/c1-3-8-6-16(9(4-2)5-13-8)7-10-14-15-11(12)17-10/h8-9,13H,3-7H2,1-2H3.
What are the key properties of 2-chloro-5-[(2,5-diethylpiperazin-1-yl)methyl]-1,3,4-thiadiazole?
2-chloro-5-[(2,5-diethylpiperazin-1-yl)methyl]-1,3,4-thiadiazole has a molecular weight of 274.82 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,5-diethylpiperazin-1-yl)methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 80606647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).