(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-(1,4-oxazepan-6-yl)methanone;hydrochloride

C22H27ClN4O2S — CID 166599408

IUPAC(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-(1,4-oxazepan-6-yl)methanone;hydrochloride
SMILESCl.O=C(C1CNCCOC1)N1CCC(c2ccccc2)(c2cn3ccsc3n2)CC1
InChIInChI=1S/C22H26N4O2S.ClH/c27-20(17-14-23-8-12-28-16-17)25-9-6-22(7-10-25,18-4-2-1-3-5-18)19-15-26-11-13-29-21(26)24-19;/h1-5,11,13,15,17,23H,6-10,12,14,16H2;1H
InChIKeyGXWOFBUCQUPLGB-UHFFFAOYSA-N
MW447.00 g/mol
LogP2.96
Rot. Bonds3

About (4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-(1,4-oxazepan-6-yl)methanone;hydrochloride

(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-(1,4-oxazepan-6-yl)methanone;hydrochloride (PubChem CID 166599408) has the molecular formula C22H27ClN4O2S and a molecular weight of 447.00 g/mol. Its IUPAC name is (4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-(1,4-oxazepan-6-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-(1,4-oxazepan-6-yl)methanone;hydrochloride
PubChem CID166599408
Molecular FormulaC22H27ClN4O2S
Molecular Weight447.00 g/mol
Exact Mass446.15
IUPAC Name(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-(1,4-oxazepan-6-yl)methanone;hydrochloride
SMILESCl.O=C(C1CNCCOC1)N1CCC(c2ccccc2)(c2cn3ccsc3n2)CC1
InChIInChI=1S/C22H26N4O2S.ClH/c27-20(17-14-23-8-12-28-16-17)25-9-6-22(7-10-25,18-4-2-1-3-5-18)19-15-26-11-13-29-21(26)24-19;/h1-5,11,13,15,17,23H,6-10,12,14,16H2;1H
InChIKeyGXWOFBUCQUPLGB-UHFFFAOYSA-N
XLogP2.96
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.00
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)sulfonylmorpholine
CID 165423500
(2-amino-1,3-thiazol-5-yl)-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methanone
CID 165424702
(3aR,6aS)-3a-[(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 165423414
(4S)-4-amino-5-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-5-oxopentanamide;hydrochloride
CID 166600240
1,4-oxazepan-6-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone;hydrochloride
CID 163341356
formic acid;[4-(8-methylimidazo[1,2-a]pyridin-2-yl)-4-phenylpiperidin-1-yl]-[(3R)-4-methylmorpholin-3-yl]methanone
CID 166599445
[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone
CID 165424336
1-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)-2-morpholin-4-ylethanone
CID 165428931
[4-(hydroxymethyl)oxan-4-yl]-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methanone
CID 165426261
1-[2-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 165420293
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-morpholin-2-ylethanone
CID 116561830
(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
CID 165418563

Frequently Asked Questions

What is the IUPAC name of (4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-(1,4-oxazepan-6-yl)methanone;hydrochloride?
The IUPAC name of (4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-(1,4-oxazepan-6-yl)methanone;hydrochloride (CID 166599408) is (4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-(1,4-oxazepan-6-yl)methanone;hydrochloride.
What is the SMILES notation for (4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-(1,4-oxazepan-6-yl)methanone;hydrochloride?
The canonical SMILES for (4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-(1,4-oxazepan-6-yl)methanone;hydrochloride is Cl.O=C(C1CNCCOC1)N1CCC(c2ccccc2)(c2cn3ccsc3n2)CC1.
What is the InChIKey of (4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-(1,4-oxazepan-6-yl)methanone;hydrochloride?
The InChIKey is GXWOFBUCQUPLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S.ClH/c27-20(17-14-23-8-12-28-16-17)25-9-6-22(7-10-25,18-4-2-1-3-5-18)19-15-26-11-13-29-21(26)24-19;/h1-5,11,13,15,17,23H,6-10,12,14,16H2;1H.
What are the key properties of (4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-(1,4-oxazepan-6-yl)methanone;hydrochloride?
(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-(1,4-oxazepan-6-yl)methanone;hydrochloride has a molecular weight of 447.00 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-(1,4-oxazepan-6-yl)methanone;hydrochloride is sourced from PubChem (CID 166599408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).