N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide

C19H22N4O3S2 — CID 165420834

IUPACN-[2-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(=O)N1CCC(c2ccccc2)(c2cn3ccsc3n2)CC1
InChIInChI=1S/C19H22N4O3S2/c1-28(25,26)20-13-17(24)22-9-7-19(8-10-22,15-5-3-2-4-6-15)16-14-23-11-12-27-18(23)21-16/h2-6,11-12,14,20H,7-10,13H2,1H3
InChIKeyKYOFRNIAFSMVIG-UHFFFAOYSA-N
MW418.54 g/mol
LogP1.85
Rot. Bonds5

About N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide

N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide (PubChem CID 165420834) has the molecular formula C19H22N4O3S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
PubChem CID165420834
Molecular FormulaC19H22N4O3S2
Molecular Weight418.54 g/mol
Exact Mass418.11
IUPAC NameN-[2-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(=O)N1CCC(c2ccccc2)(c2cn3ccsc3n2)CC1
InChIInChI=1S/C19H22N4O3S2/c1-28(25,26)20-13-17(24)22-9-7-19(8-10-22,15-5-3-2-4-6-15)16-14-23-11-12-27-18(23)21-16/h2-6,11-12,14,20H,7-10,13H2,1H3
InChIKeyKYOFRNIAFSMVIG-UHFFFAOYSA-N
XLogP1.85
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-4-amino-5-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-5-oxopentanamide;hydrochloride
CID 166600240
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
[2-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)-2-oxoethyl]urea
CID 165422883
(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-(1,4-oxazepan-6-yl)methanone;hydrochloride
CID 166599408
[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 164691667
4-amino-1-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)butan-1-one
CID 165427025
4-hydroxy-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-phenylpiperidine-1-carboxamide
CID 122572182
(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
1-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)-2-morpholin-4-ylethanone
CID 165428931
N-[(2S)-1-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]acetamide
CID 165427245
(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 N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide (CID 165420834) is N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide is CS(=O)(=O)NCC(=O)N1CCC(c2ccccc2)(c2cn3ccsc3n2)CC1.
What is the InChIKey of N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
The InChIKey is KYOFRNIAFSMVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S2/c1-28(25,26)20-13-17(24)22-9-7-19(8-10-22,15-5-3-2-4-6-15)16-14-23-11-12-27-18(23)21-16/h2-6,11-12,14,20H,7-10,13H2,1H3.
What are the key properties of N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide?
N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide has a molecular weight of 418.54 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 165420834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).