2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride

C19H33Cl2N5O2S — CID 120646195

IUPAC2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride
SMILESCC1CCCC(NC(=O)CN2CCN(C(=O)c3csc(CCN)n3)CC2)C1.Cl.Cl
InChIInChI=1S/C19H31N5O2S.2ClH/c1-14-3-2-4-15(11-14)21-17(25)12-23-7-9-24(10-8-23)19(26)16-13-27-18(22-16)5-6-20;;/h13-15H,2-12,20H2,1H3,(H,21,25);2*1H
InChIKeyCUZUUOVHFYDZLO-UHFFFAOYSA-N
MW466.48 g/mol
LogP1.94
Rot. Bonds6

About 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride

2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride (PubChem CID 120646195) has the molecular formula C19H33Cl2N5O2S and a molecular weight of 466.48 g/mol. Its IUPAC name is 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride
PubChem CID120646195
Molecular FormulaC19H33Cl2N5O2S
Molecular Weight466.48 g/mol
Exact Mass465.17
IUPAC Name2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride
SMILESCC1CCCC(NC(=O)CN2CCN(C(=O)c3csc(CCN)n3)CC2)C1.Cl.Cl
InChIInChI=1S/C19H31N5O2S.2ClH/c1-14-3-2-4-15(11-14)21-17(25)12-23-7-9-24(10-8-23)19(26)16-13-27-18(22-16)5-6-20;;/h13-15H,2-12,20H2,1H3,(H,21,25);2*1H
InChIKeyCUZUUOVHFYDZLO-UHFFFAOYSA-N
XLogP1.94
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.48
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;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-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 120625539
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(cyclohexylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 120641312
2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide;dihydrochloride
CID 120640636
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2,6-dimethylazepan-1-yl)methanone;hydrochloride
CID 120634134
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 120636454
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 120633481
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride
CID 119876812
2-[4-[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 100896929
1-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 120629970
(3-methylcyclohexyl) 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate
CID 66372916
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-ethylazepan-1-yl)methanone
CID 66390147
1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 120622964

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride?
The IUPAC name of 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride (CID 120646195) is 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride?
The canonical SMILES for 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride is CC1CCCC(NC(=O)CN2CCN(C(=O)c3csc(CCN)n3)CC2)C1.Cl.Cl.
What is the InChIKey of 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride?
The InChIKey is CUZUUOVHFYDZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2S.2ClH/c1-14-3-2-4-15(11-14)21-17(25)12-23-7-9-24(10-8-23)19(26)16-13-27-18(22-16)5-6-20;;/h13-15H,2-12,20H2,1H3,(H,21,25);2*1H.
What are the key properties of 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride?
2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride has a molecular weight of 466.48 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride is sourced from PubChem (CID 120646195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).