N-(4-benzhydrylpiperazin-1-yl)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine

C23H22ClN5S — CID 2446974

IUPACN-(4-benzhydrylpiperazin-1-yl)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine
SMILESClc1nc2sccn2c1C=NN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H22ClN5S/c24-22-20(29-15-16-30-23(29)26-22)17-25-28-13-11-27(12-14-28)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,15-17,21H,11-14H2
InChIKeyXQTGCZUZXPNZNE-UHFFFAOYSA-N
MW435.98 g/mol
LogP4.79
Rot. Bonds5

About N-(4-benzhydrylpiperazin-1-yl)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine

N-(4-benzhydrylpiperazin-1-yl)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine (PubChem CID 2446974) has the molecular formula C23H22ClN5S and a molecular weight of 435.98 g/mol. Its IUPAC name is N-(4-benzhydrylpiperazin-1-yl)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine.

Molecular Properties

Compound NameN-(4-benzhydrylpiperazin-1-yl)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine
PubChem CID2446974
Molecular FormulaC23H22ClN5S
Molecular Weight435.98 g/mol
Exact Mass435.13
IUPAC NameN-(4-benzhydrylpiperazin-1-yl)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine
SMILESClc1nc2sccn2c1C=NN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H22ClN5S/c24-22-20(29-15-16-30-23(29)26-22)17-25-28-13-11-27(12-14-28)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,15-17,21H,11-14H2
InChIKeyXQTGCZUZXPNZNE-UHFFFAOYSA-N
XLogP4.79
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.98
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-cyano-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 8861671
(Z)-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine
CID 8900414
N-(4-benzhydrylpiperazin-1-yl)-1-(3-bromophenyl)methanimine
CID 3122935
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 34816692
(4Z)-4-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 60585789
5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 136577248
(E)-1-(4-benzoylpiperidin-1-yl)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
CID 33363731
1-benzhydryl-4-methylpiperazine
CID 6726
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-ol
CID 79334066
7-[[(4-chlorophenyl)-phenylmethyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 86932182
6-(1-phenylethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780661
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-phenylpropyl)prop-2-enamide
CID 32979324

Frequently Asked Questions

What is the IUPAC name of N-(4-benzhydrylpiperazin-1-yl)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine?
The IUPAC name of N-(4-benzhydrylpiperazin-1-yl)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine (CID 2446974) is N-(4-benzhydrylpiperazin-1-yl)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine.
What is the SMILES notation for N-(4-benzhydrylpiperazin-1-yl)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine?
The canonical SMILES for N-(4-benzhydrylpiperazin-1-yl)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine is Clc1nc2sccn2c1C=NN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-(4-benzhydrylpiperazin-1-yl)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine?
The InChIKey is XQTGCZUZXPNZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5S/c24-22-20(29-15-16-30-23(29)26-22)17-25-28-13-11-27(12-14-28)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,15-17,21H,11-14H2.
What are the key properties of N-(4-benzhydrylpiperazin-1-yl)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine?
N-(4-benzhydrylpiperazin-1-yl)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine has a molecular weight of 435.98 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzhydrylpiperazin-1-yl)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine is sourced from PubChem (CID 2446974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).