N-(2-aminoethyl)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide;dihydrochloride

C19H26Cl2N4O2S — CID 119479884

IUPACN-(2-aminoethyl)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NCCNC(=O)C1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1
InChIInChI=1S/C19H24N4O2S.2ClH/c20-8-9-21-18(24)15-7-4-10-23(12-15)19(25)16-13-26-17(22-16)11-14-5-2-1-3-6-14;;/h1-3,5-6,13,15H,4,7-12,20H2,(H,21,24);2*1H
InChIKeyYIUXVZNNADJXHY-UHFFFAOYSA-N
MW445.42 g/mol
LogP2.50
Rot. Bonds6

About N-(2-aminoethyl)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide;dihydrochloride

N-(2-aminoethyl)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide;dihydrochloride (PubChem CID 119479884) has the molecular formula C19H26Cl2N4O2S and a molecular weight of 445.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide;dihydrochloride
PubChem CID119479884
Molecular FormulaC19H26Cl2N4O2S
Molecular Weight445.42 g/mol
Exact Mass444.12
IUPAC NameN-(2-aminoethyl)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NCCNC(=O)C1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1
InChIInChI=1S/C19H24N4O2S.2ClH/c20-8-9-21-18(24)15-7-4-10-23(12-15)19(25)16-13-26-17(22-16)11-14-5-2-1-3-6-14;;/h1-3,5-6,13,15H,4,7-12,20H2,(H,21,24);2*1H
InChIKeyYIUXVZNNADJXHY-UHFFFAOYSA-N
XLogP2.50
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119479488
N-(2-aminoethyl)-1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
CID 119480398
N-(2-aminoethyl)-1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
CID 119481732
N-(2-aminoethyl)-1-(2-benzylbenzoyl)piperidine-3-carboxamide
CID 119480881
[3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 119593496
[(3R)-3-aminopyrrolidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 119410019
N-(2-aminoethyl)-1-(4-methylquinoline-2-carbonyl)piperidine-3-carboxamide
CID 126791837
[1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 45171795
[(3R)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 42154386
N-(2-aminoethyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide
CID 119482163
2-[[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245327
(2-benzyl-1,3-thiazol-4-yl)-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 133115875

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide;dihydrochloride (CID 119479884) is N-(2-aminoethyl)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide;dihydrochloride is Cl.Cl.NCCNC(=O)C1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide;dihydrochloride?
The InChIKey is YIUXVZNNADJXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S.2ClH/c20-8-9-21-18(24)15-7-4-10-23(12-15)19(25)16-13-26-17(22-16)11-14-5-2-1-3-6-14;;/h1-3,5-6,13,15H,4,7-12,20H2,(H,21,24);2*1H.
What are the key properties of N-(2-aminoethyl)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide;dihydrochloride?
N-(2-aminoethyl)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide;dihydrochloride has a molecular weight of 445.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119479884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).