6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole

C5H4ClN3S — CID 570967

IUPAC6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2cc(Cl)nc2s1
InChIInChI=1S/C5H4ClN3S/c1-3-8-9-2-4(6)7-5(9)10-3/h2H,1H3
InChIKeyBWXNNMPUFJNWOP-UHFFFAOYSA-N
MW173.63 g/mol
LogP1.75
Rot. Bonds

About 6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole

6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 570967) has the molecular formula C5H4ClN3S and a molecular weight of 173.63 g/mol. Its IUPAC name is 6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID570967
Molecular FormulaC5H4ClN3S
Molecular Weight173.63 g/mol
Exact Mass172.98
IUPAC Name6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2cc(Cl)nc2s1
InChIInChI=1S/C5H4ClN3S/c1-3-8-9-2-4(6)7-5(9)10-3/h2H,1H3
InChIKeyBWXNNMPUFJNWOP-UHFFFAOYSA-N
XLogP1.75
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.63
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole (CID 570967) is 6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole is Cc1nn2cc(Cl)nc2s1.
What is the InChIKey of 6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is BWXNNMPUFJNWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN3S/c1-3-8-9-2-4(6)7-5(9)10-3/h2H,1H3.
What are the key properties of 6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole?
6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 173.63 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 570967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).