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

C16H14Cl2N4OS — CID 2348921

IUPAC(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1c(Cl)nc2sccn12)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H14Cl2N4OS/c17-11-2-1-3-12(10-11)20-4-6-21(7-5-20)15(23)13-14(18)19-16-22(13)8-9-24-16/h1-3,8-10H,4-7H2
InChIKeyGSBKDBNSTMMVOG-UHFFFAOYSA-N
MW381.29 g/mol
LogP3.66
Rot. Bonds2

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

(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 2348921) has the molecular formula C16H14Cl2N4OS and a molecular weight of 381.29 g/mol. Its IUPAC name is (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
PubChem CID2348921
Molecular FormulaC16H14Cl2N4OS
Molecular Weight381.29 g/mol
Exact Mass380.03
IUPAC Name(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1c(Cl)nc2sccn12)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H14Cl2N4OS/c17-11-2-1-3-12(10-11)20-4-6-21(7-5-20)15(23)13-14(18)19-16-22(13)8-9-24-16/h1-3,8-10H,4-7H2
InChIKeyGSBKDBNSTMMVOG-UHFFFAOYSA-N
XLogP3.66
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.29
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone (CID 2348921) is (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone is O=C(c1c(Cl)nc2sccn12)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is GSBKDBNSTMMVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4OS/c17-11-2-1-3-12(10-11)20-4-6-21(7-5-20)15(23)13-14(18)19-16-22(13)8-9-24-16/h1-3,8-10H,4-7H2.
What are the key properties of (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 381.29 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2348921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).