(4S)-4-amino-5-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-5-oxopentanamide;hydrochloride

C21H26ClN5O2S — CID 166600240

IUPAC(4S)-4-amino-5-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-5-oxopentanamide;hydrochloride
SMILESCl.NC(=O)CC[C@H](N)C(=O)N1CCC(c2ccccc2)(c2cn3ccsc3n2)CC1
InChIInChI=1S/C21H25N5O2S.ClH/c22-16(6-7-18(23)27)19(28)25-10-8-21(9-11-25,15-4-2-1-3-5-15)17-14-26-12-13-29-20(26)24-17;/h1-5,12-14,16H,6-11,22H2,(H2,23,27);1H/t16-;/m0./s1
InChIKeyILTBKXSGTHZTDR-NTISSMGPSA-N
MW447.99 g/mol
LogP2.32
Rot. Bonds6

About (4S)-4-amino-5-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-5-oxopentanamide;hydrochloride

(4S)-4-amino-5-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-5-oxopentanamide;hydrochloride (PubChem CID 166600240) has the molecular formula C21H26ClN5O2S and a molecular weight of 447.99 g/mol. Its IUPAC name is (4S)-4-amino-5-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-5-oxopentanamide;hydrochloride.

Molecular Properties

Compound Name(4S)-4-amino-5-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-5-oxopentanamide;hydrochloride
PubChem CID166600240
Molecular FormulaC21H26ClN5O2S
Molecular Weight447.99 g/mol
Exact Mass447.15
IUPAC Name(4S)-4-amino-5-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-5-oxopentanamide;hydrochloride
SMILESCl.NC(=O)CC[C@H](N)C(=O)N1CCC(c2ccccc2)(c2cn3ccsc3n2)CC1
InChIInChI=1S/C21H25N5O2S.ClH/c22-16(6-7-18(23)27)19(28)25-10-8-21(9-11-25,15-4-2-1-3-5-15)17-14-26-12-13-29-20(26)24-17;/h1-5,12-14,16H,6-11,22H2,(H2,23,27);1H/t16-;/m0./s1
InChIKeyILTBKXSGTHZTDR-NTISSMGPSA-N
XLogP2.32
TPSA106.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.99
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 165420834
(2-amino-1,3-thiazol-5-yl)-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methanone
CID 165424702
(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
(2S)-2,6-diamino-1-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]hexan-1-one;dihydrochloride
CID 166600286
[2-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)-2-oxoethyl]urea
CID 165422883
(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
4-amino-1-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)butan-1-one
CID 165427025
(2S)-2-amino-1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-3-(1H-imidazol-5-yl)propan-1-one
CID 165422793
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
4-hydroxy-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-phenylpiperidine-1-carboxamide
CID 122572182

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-5-oxopentanamide;hydrochloride?
The IUPAC name of (4S)-4-amino-5-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-5-oxopentanamide;hydrochloride (CID 166600240) is (4S)-4-amino-5-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-5-oxopentanamide;hydrochloride.
What is the SMILES notation for (4S)-4-amino-5-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-5-oxopentanamide;hydrochloride?
The canonical SMILES for (4S)-4-amino-5-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-5-oxopentanamide;hydrochloride is Cl.NC(=O)CC[C@H](N)C(=O)N1CCC(c2ccccc2)(c2cn3ccsc3n2)CC1.
What is the InChIKey of (4S)-4-amino-5-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-5-oxopentanamide;hydrochloride?
The InChIKey is ILTBKXSGTHZTDR-NTISSMGPSA-N. The full InChI is InChI=1S/C21H25N5O2S.ClH/c22-16(6-7-18(23)27)19(28)25-10-8-21(9-11-25,15-4-2-1-3-5-15)17-14-26-12-13-29-20(26)24-17;/h1-5,12-14,16H,6-11,22H2,(H2,23,27);1H/t16-;/m0./s1.
What are the key properties of (4S)-4-amino-5-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-5-oxopentanamide;hydrochloride?
(4S)-4-amino-5-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-5-oxopentanamide;hydrochloride has a molecular weight of 447.99 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-5-oxopentanamide;hydrochloride is sourced from PubChem (CID 166600240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).