2-[2-(4-chlorophenyl)triazol-4-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole

C18H11ClN6S — CID 86575218

IUPAC2-[2-(4-chlorophenyl)triazol-4-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESClc1ccc(-n2ncc(-c3nn4cc(-c5ccccc5)nc4s3)n2)cc1
InChIInChI=1S/C18H11ClN6S/c19-13-6-8-14(9-7-13)25-20-10-15(22-25)17-23-24-11-16(21-18(24)26-17)12-4-2-1-3-5-12/h1-11H
InChIKeySMUVPOSCQPTVFM-UHFFFAOYSA-N
MW378.85 g/mol
LogP4.36
Rot. Bonds3

About 2-[2-(4-chlorophenyl)triazol-4-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole

2-[2-(4-chlorophenyl)triazol-4-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 86575218) has the molecular formula C18H11ClN6S and a molecular weight of 378.85 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)triazol-4-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)triazol-4-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID86575218
Molecular FormulaC18H11ClN6S
Molecular Weight378.85 g/mol
Exact Mass378.05
IUPAC Name2-[2-(4-chlorophenyl)triazol-4-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESClc1ccc(-n2ncc(-c3nn4cc(-c5ccccc5)nc4s3)n2)cc1
InChIInChI=1S/C18H11ClN6S/c19-13-6-8-14(9-7-13)25-20-10-15(22-25)17-23-24-11-16(21-18(24)26-17)12-4-2-1-3-5-12/h1-11H
InChIKeySMUVPOSCQPTVFM-UHFFFAOYSA-N
XLogP4.36
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.85
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)triazol-4-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-[2-(4-chlorophenyl)triazol-4-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole (CID 86575218) is 2-[2-(4-chlorophenyl)triazol-4-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-[2-(4-chlorophenyl)triazol-4-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-[2-(4-chlorophenyl)triazol-4-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole is Clc1ccc(-n2ncc(-c3nn4cc(-c5ccccc5)nc4s3)n2)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)triazol-4-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is SMUVPOSCQPTVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN6S/c19-13-6-8-14(9-7-13)25-20-10-15(22-25)17-23-24-11-16(21-18(24)26-17)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 2-[2-(4-chlorophenyl)triazol-4-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
2-[2-(4-chlorophenyl)triazol-4-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 378.85 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)triazol-4-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 86575218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).