5-(1-benzyltriazol-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole

C20H14ClN5S — CID 155255054

IUPAC5-(1-benzyltriazol-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole
SMILESClc1ccc(-c2nc3sccn3c2-c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C20H14ClN5S/c21-16-8-6-15(7-9-16)18-19(26-10-11-27-20(26)22-18)17-13-25(24-23-17)12-14-4-2-1-3-5-14/h1-11,13H,12H2
InChIKeyFDPWVTMBAPJHKT-UHFFFAOYSA-N
MW391.89 g/mol
LogP5.02
Rot. Bonds4

About 5-(1-benzyltriazol-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole

5-(1-benzyltriazol-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 155255054) has the molecular formula C20H14ClN5S and a molecular weight of 391.89 g/mol. Its IUPAC name is 5-(1-benzyltriazol-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(1-benzyltriazol-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole
PubChem CID155255054
Molecular FormulaC20H14ClN5S
Molecular Weight391.89 g/mol
Exact Mass391.07
IUPAC Name5-(1-benzyltriazol-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole
SMILESClc1ccc(-c2nc3sccn3c2-c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C20H14ClN5S/c21-16-8-6-15(7-9-16)18-19(26-10-11-27-20(26)22-18)17-13-25(24-23-17)12-14-4-2-1-3-5-14/h1-11,13H,12H2
InChIKeyFDPWVTMBAPJHKT-UHFFFAOYSA-N
XLogP5.02
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.89
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyltriazol-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(1-benzyltriazol-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole (CID 155255054) is 5-(1-benzyltriazol-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(1-benzyltriazol-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(1-benzyltriazol-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole is Clc1ccc(-c2nc3sccn3c2-c2cn(Cc3ccccc3)nn2)cc1.
What is the InChIKey of 5-(1-benzyltriazol-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is FDPWVTMBAPJHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN5S/c21-16-8-6-15(7-9-16)18-19(26-10-11-27-20(26)22-18)17-13-25(24-23-17)12-14-4-2-1-3-5-14/h1-11,13H,12H2.
What are the key properties of 5-(1-benzyltriazol-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole?
5-(1-benzyltriazol-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 391.89 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyltriazol-4-yl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 155255054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).