2-(2-aminoethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride

C20H30Cl2N4OS — CID 120646720

IUPAC2-(2-aminoethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(NC1(CNC(=O)c2csc(CCN)n2)CCCC1)c1ccccc1.Cl.Cl
InChIInChI=1S/C20H28N4OS.2ClH/c1-15(16-7-3-2-4-8-16)24-20(10-5-6-11-20)14-22-19(25)17-13-26-18(23-17)9-12-21;;/h2-4,7-8,13,15,24H,5-6,9-12,14,21H2,1H3,(H,22,25);2*1H
InChIKeyZHXRHPKNBAGGIP-UHFFFAOYSA-N
MW445.46 g/mol
LogP3.88
Rot. Bonds8

About 2-(2-aminoethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride

2-(2-aminoethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120646720) has the molecular formula C20H30Cl2N4OS and a molecular weight of 445.46 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120646720
Molecular FormulaC20H30Cl2N4OS
Molecular Weight445.46 g/mol
Exact Mass444.15
IUPAC Name2-(2-aminoethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(NC1(CNC(=O)c2csc(CCN)n2)CCCC1)c1ccccc1.Cl.Cl
InChIInChI=1S/C20H28N4OS.2ClH/c1-15(16-7-3-2-4-8-16)24-20(10-5-6-11-20)14-22-19(25)17-13-26-18(23-17)9-12-21;;/h2-4,7-8,13,15,24H,5-6,9-12,14,21H2,1H3,(H,22,25);2*1H
InChIKeyZHXRHPKNBAGGIP-UHFFFAOYSA-N
XLogP3.88
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(2-aminoethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119884553
2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 119884554
2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120639022
2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide
CID 120639023
2-(2-aminoethyl)-N-(1-phenylcyclopentyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120633064
2-(2-aminoethyl)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635450
4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide
CID 119884570
2-(2-aminoethyl)-N-[(1-propoxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638669
2-(2-aminoethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638800
2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616033
5-amino-2-methyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide;dihydrochloride
CID 120646718
2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-phenylacetic acid
CID 66390847

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120646720) is 2-(2-aminoethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride is CC(NC1(CNC(=O)c2csc(CCN)n2)CCCC1)c1ccccc1.Cl.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is ZHXRHPKNBAGGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS.2ClH/c1-15(16-7-3-2-4-8-16)24-20(10-5-6-11-20)14-22-19(25)17-13-26-18(23-17)9-12-21;;/h2-4,7-8,13,15,24H,5-6,9-12,14,21H2,1H3,(H,22,25);2*1H.
What are the key properties of 2-(2-aminoethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(2-aminoethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 445.46 g/mol, XLogP of 3.88, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120646720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).