(2-amino-1,3-thiazol-5-yl)-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methanone

C20H19N5OS2 — CID 165424702

IUPAC(2-amino-1,3-thiazol-5-yl)-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methanone
SMILESNc1ncc(C(=O)N2CCC(c3ccccc3)(c3cn4ccsc4n3)CC2)s1
InChIInChI=1S/C20H19N5OS2/c21-18-22-12-15(28-18)17(26)24-8-6-20(7-9-24,14-4-2-1-3-5-14)16-13-25-10-11-27-19(25)23-16/h1-5,10-13H,6-9H2,(H2,21,22)
InChIKeyUTWNGVSRQVTBCK-UHFFFAOYSA-N
MW409.54 g/mol
LogP3.66
Rot. Bonds3

About (2-amino-1,3-thiazol-5-yl)-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methanone

(2-amino-1,3-thiazol-5-yl)-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methanone (PubChem CID 165424702) has the molecular formula C20H19N5OS2 and a molecular weight of 409.54 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-5-yl)-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-5-yl)-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methanone
PubChem CID165424702
Molecular FormulaC20H19N5OS2
Molecular Weight409.54 g/mol
Exact Mass409.10
IUPAC Name(2-amino-1,3-thiazol-5-yl)-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methanone
SMILESNc1ncc(C(=O)N2CCC(c3ccccc3)(c3cn4ccsc4n3)CC2)s1
InChIInChI=1S/C20H19N5OS2/c21-18-22-12-15(28-18)17(26)24-8-6-20(7-9-24,14-4-2-1-3-5-14)16-13-25-10-11-27-19(25)23-16/h1-5,10-13H,6-9H2,(H2,21,22)
InChIKeyUTWNGVSRQVTBCK-UHFFFAOYSA-N
XLogP3.66
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone
CID 165426176
N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 165420834
(4S)-4-amino-5-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-5-oxopentanamide;hydrochloride
CID 166600240
(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-(1,4-oxazepan-6-yl)methanone;hydrochloride
CID 166599408
4-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)sulfonylmorpholine
CID 165423500
(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
CID 165418563
(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
5-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
CID 165417844
(3,5-dimethylimidazol-4-yl)-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methanone
CID 165424431
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 165423923
4-hydroxy-1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylic acid
CID 56865263
(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
CID 165421420

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-5-yl)-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-1,3-thiazol-5-yl)-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methanone (CID 165424702) is (2-amino-1,3-thiazol-5-yl)-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-1,3-thiazol-5-yl)-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-1,3-thiazol-5-yl)-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methanone is Nc1ncc(C(=O)N2CCC(c3ccccc3)(c3cn4ccsc4n3)CC2)s1.
What is the InChIKey of (2-amino-1,3-thiazol-5-yl)-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methanone?
The InChIKey is UTWNGVSRQVTBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS2/c21-18-22-12-15(28-18)17(26)24-8-6-20(7-9-24,14-4-2-1-3-5-14)16-13-25-10-11-27-19(25)23-16/h1-5,10-13H,6-9H2,(H2,21,22).
What are the key properties of (2-amino-1,3-thiazol-5-yl)-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methanone?
(2-amino-1,3-thiazol-5-yl)-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methanone has a molecular weight of 409.54 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-5-yl)-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 165424702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).