[1-(4-chlorophenyl)triazol-4-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone

C20H12ClN5OS — CID 155535434

IUPAC[1-(4-chlorophenyl)triazol-4-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
SMILESO=C(c1cn(-c2ccc(Cl)cc2)nn1)c1c(-c2ccccc2)nc2sccn12
InChIInChI=1S/C20H12ClN5OS/c21-14-6-8-15(9-7-14)26-12-16(23-24-26)19(27)18-17(13-4-2-1-3-5-13)22-20-25(18)10-11-28-20/h1-12H
InChIKeyFLBPJGDEPGERQY-UHFFFAOYSA-N
MW405.87 g/mol
LogP4.53
Rot. Bonds4

About [1-(4-chlorophenyl)triazol-4-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone

[1-(4-chlorophenyl)triazol-4-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone (PubChem CID 155535434) has the molecular formula C20H12ClN5OS and a molecular weight of 405.87 g/mol. Its IUPAC name is [1-(4-chlorophenyl)triazol-4-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)triazol-4-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
PubChem CID155535434
Molecular FormulaC20H12ClN5OS
Molecular Weight405.87 g/mol
Exact Mass405.05
IUPAC Name[1-(4-chlorophenyl)triazol-4-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
SMILESO=C(c1cn(-c2ccc(Cl)cc2)nn1)c1c(-c2ccccc2)nc2sccn12
InChIInChI=1S/C20H12ClN5OS/c21-14-6-8-15(9-7-14)26-12-16(23-24-26)19(27)18-17(13-4-2-1-3-5-13)22-20-25(18)10-11-28-20/h1-12H
InChIKeyFLBPJGDEPGERQY-UHFFFAOYSA-N
XLogP4.53
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.87
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)triazol-4-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)triazol-4-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone (CID 155535434) is [1-(4-chlorophenyl)triazol-4-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)triazol-4-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)triazol-4-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone is O=C(c1cn(-c2ccc(Cl)cc2)nn1)c1c(-c2ccccc2)nc2sccn12.
What is the InChIKey of [1-(4-chlorophenyl)triazol-4-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
The InChIKey is FLBPJGDEPGERQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClN5OS/c21-14-6-8-15(9-7-14)26-12-16(23-24-26)19(27)18-17(13-4-2-1-3-5-13)22-20-25(18)10-11-28-20/h1-12H.
What are the key properties of [1-(4-chlorophenyl)triazol-4-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
[1-(4-chlorophenyl)triazol-4-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone has a molecular weight of 405.87 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)triazol-4-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone is sourced from PubChem (CID 155535434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).