5-(piperazin-1-ylmethyl)thiadiazole

C7H12N4S — CID 65215143

IUPAC5-(piperazin-1-ylmethyl)thiadiazole
SMILESc1nnsc1CN1CCNCC1
InChIInChI=1S/C7H12N4S/c1-3-11(4-2-8-1)6-7-5-9-10-12-7/h5,8H,1-4,6H2
InChIKeyHAPHVRKSPXWKDB-UHFFFAOYSA-N
MW184.27 g/mol
LogP-0.06
Rot. Bonds2

About 5-(piperazin-1-ylmethyl)thiadiazole

5-(piperazin-1-ylmethyl)thiadiazole (PubChem CID 65215143) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 5-(piperazin-1-ylmethyl)thiadiazole.

Molecular Properties

Compound Name5-(piperazin-1-ylmethyl)thiadiazole
PubChem CID65215143
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name5-(piperazin-1-ylmethyl)thiadiazole
SMILESc1nnsc1CN1CCNCC1
InChIInChI=1S/C7H12N4S/c1-3-11(4-2-8-1)6-7-5-9-10-12-7/h5,8H,1-4,6H2
InChIKeyHAPHVRKSPXWKDB-UHFFFAOYSA-N
XLogP-0.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-(thiadiazol-5-ylmethyl)ethanamine
CID 130599876
(3-Amino-2,2-difluoropropyl)(methyl)[(1,2,3-thiadiazol-5-yl)methyl]amine
CID 165462576
Methyl-[1,2,3]thiadiazol-5-ylmethyl-amine
CID 64985320
N-(thiadiazol-5-ylmethyl)propan-2-amine
CID 65214973
5-Piperazin-2-ylthiadiazole
CID 69822980
N'-(thiadiazol-5-ylmethyl)ethane-1,2-diamine
CID 70458657
N'-[1-(thiadiazol-5-yl)ethyl]ethane-1,2-diamine
CID 70458967
5-Imidazolidin-2-ylthiadiazole
CID 173407016
N-(thiadiazol-5-ylmethyl)ethanamine
CID 64985023
N-(thiadiazol-5-ylmethyl)propan-1-amine
CID 65214972
N-(thiadiazol-5-ylmethyl)cyclopropanamine
CID 65214974
2-methyl-N-(thiadiazol-5-ylmethyl)propan-2-amine
CID 65214975

Frequently Asked Questions

What is the IUPAC name of 5-(piperazin-1-ylmethyl)thiadiazole?
The IUPAC name of 5-(piperazin-1-ylmethyl)thiadiazole (CID 65215143) is 5-(piperazin-1-ylmethyl)thiadiazole.
What is the SMILES notation for 5-(piperazin-1-ylmethyl)thiadiazole?
The canonical SMILES for 5-(piperazin-1-ylmethyl)thiadiazole is c1nnsc1CN1CCNCC1.
What is the InChIKey of 5-(piperazin-1-ylmethyl)thiadiazole?
The InChIKey is HAPHVRKSPXWKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-3-11(4-2-8-1)6-7-5-9-10-12-7/h5,8H,1-4,6H2.
What are the key properties of 5-(piperazin-1-ylmethyl)thiadiazole?
5-(piperazin-1-ylmethyl)thiadiazole has a molecular weight of 184.27 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperazin-1-ylmethyl)thiadiazole is sourced from PubChem (CID 65215143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).