2-(2-aminoethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C19H25Cl2N5OS — CID 120647670

IUPAC2-(2-aminoethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCCc1nc(C(=O)NCc2nccn2CCCc2ccccc2)cs1
InChIInChI=1S/C19H23N5OS.2ClH/c20-9-8-18-23-16(14-26-18)19(25)22-13-17-21-10-12-24(17)11-4-7-15-5-2-1-3-6-15;;/h1-3,5-6,10,12,14H,4,7-9,11,13,20H2,(H,22,25);2*1H
InChIKeyGTSNJLFKLHJBKT-UHFFFAOYSA-N
MW442.42 g/mol
LogP3.25
Rot. Bonds9

About 2-(2-aminoethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(2-aminoethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120647670) has the molecular formula C19H25Cl2N5OS and a molecular weight of 442.42 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120647670
Molecular FormulaC19H25Cl2N5OS
Molecular Weight442.42 g/mol
Exact Mass441.12
IUPAC Name2-(2-aminoethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCCc1nc(C(=O)NCc2nccn2CCCc2ccccc2)cs1
InChIInChI=1S/C19H23N5OS.2ClH/c20-9-8-18-23-16(14-26-18)19(25)22-13-17-21-10-12-24(17)11-4-7-15-5-2-1-3-6-15;;/h1-3,5-6,10,12,14H,4,7-9,11,13,20H2,(H,22,25);2*1H
InChIKeyGTSNJLFKLHJBKT-UHFFFAOYSA-N
XLogP3.25
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 71975235
2-(2-aminoethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66390133
2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616033
2-(2-aminoethyl)-N-[3-(2-phenylethoxy)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624379
4-amino-3-methoxy-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]butanamide;dihydrochloride
CID 120597418
2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639332
2-(2-aminoethyl)-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 129052232
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide
CID 71975541
2-(aminomethyl)-N-(5-phenylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119772378
1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 71923566
(2S,5R)-5-(aminomethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide
CID 120801426
2-(2-aminoethyl)-N-(2-pyrazol-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 66388753

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120647670) is 2-(2-aminoethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride is Cl.Cl.NCCc1nc(C(=O)NCc2nccn2CCCc2ccccc2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is GTSNJLFKLHJBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS.2ClH/c20-9-8-18-23-16(14-26-18)19(25)22-13-17-21-10-12-24(17)11-4-7-15-5-2-1-3-6-15;;/h1-3,5-6,10,12,14H,4,7-9,11,13,20H2,(H,22,25);2*1H.
What are the key properties of 2-(2-aminoethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(2-aminoethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 442.42 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120647670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).