5-chloro-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]thiadiazole

C11H13ClN6S — CID 35015802

IUPAC5-chloro-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]thiadiazole
SMILESClc1snnc1CN1CCN(c2cnccn2)CC1
InChIInChI=1S/C11H13ClN6S/c12-11-9(15-16-19-11)8-17-3-5-18(6-4-17)10-7-13-1-2-14-10/h1-2,7H,3-6,8H2
InChIKeyMNSQTPOAPTVVIO-UHFFFAOYSA-N
MW296.79 g/mol
LogP1.30
Rot. Bonds3

About 5-chloro-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]thiadiazole

5-chloro-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]thiadiazole (PubChem CID 35015802) has the molecular formula C11H13ClN6S and a molecular weight of 296.79 g/mol. Its IUPAC name is 5-chloro-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]thiadiazole
PubChem CID35015802
Molecular FormulaC11H13ClN6S
Molecular Weight296.79 g/mol
Exact Mass296.06
IUPAC Name5-chloro-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]thiadiazole
SMILESClc1snnc1CN1CCN(c2cnccn2)CC1
InChIInChI=1S/C11H13ClN6S/c12-11-9(15-16-19-11)8-17-3-5-18(6-4-17)10-7-13-1-2-14-10/h1-2,7H,3-6,8H2
InChIKeyMNSQTPOAPTVVIO-UHFFFAOYSA-N
XLogP1.30
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.79
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-Chloro-4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]thiadiazole
CID 53567313
5-Chloro-4-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]thiadiazole
CID 53567315
5-Chloro-4-[[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]methyl]thiadiazole
CID 53572903
1-(5-chlorothiadiazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 60696090
5-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiadiazole
CID 86774655
5-chloro-4-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]thiadiazole
CID 95287081
5-chloro-4-[[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]thiadiazole
CID 95287082
3-chloro-N-(thiadiazol-4-ylmethyl)pyrazin-2-amine
CID 130987211

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]thiadiazole (CID 35015802) is 5-chloro-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]thiadiazole is Clc1snnc1CN1CCN(c2cnccn2)CC1.
What is the InChIKey of 5-chloro-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]thiadiazole?
The InChIKey is MNSQTPOAPTVVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6S/c12-11-9(15-16-19-11)8-17-3-5-18(6-4-17)10-7-13-1-2-14-10/h1-2,7H,3-6,8H2.
What are the key properties of 5-chloro-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]thiadiazole?
5-chloro-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]thiadiazole has a molecular weight of 296.79 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]thiadiazole is sourced from PubChem (CID 35015802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).