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

C16H29Cl2N5O2S — CID 120640636

IUPAC2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide;dihydrochloride
SMILESCCN(CC)C(=O)CN1CCN(C(=O)c2csc(CCN)n2)CC1.Cl.Cl
InChIInChI=1S/C16H27N5O2S.2ClH/c1-3-20(4-2)15(22)11-19-7-9-21(10-8-19)16(23)13-12-24-14(18-13)5-6-17;;/h12H,3-11,17H2,1-2H3;2*1H
InChIKeyOXWOJDFOTPJRKR-UHFFFAOYSA-N
MW426.41 g/mol
LogP1.11
Rot. Bonds7

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

2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide;dihydrochloride (PubChem CID 120640636) has the molecular formula C16H29Cl2N5O2S and a molecular weight of 426.41 g/mol. Its IUPAC name is 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide;dihydrochloride
PubChem CID120640636
Molecular FormulaC16H29Cl2N5O2S
Molecular Weight426.41 g/mol
Exact Mass425.14
IUPAC Name2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide;dihydrochloride
SMILESCCN(CC)C(=O)CN1CCN(C(=O)c2csc(CCN)n2)CC1.Cl.Cl
InChIInChI=1S/C16H27N5O2S.2ClH/c1-3-20(4-2)15(22)11-19-7-9-21(10-8-19)16(23)13-12-24-14(18-13)5-6-17;;/h12H,3-11,17H2,1-2H3;2*1H
InChIKeyOXWOJDFOTPJRKR-UHFFFAOYSA-N
XLogP1.11
TPSA82.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.41
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide;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]-[4-(cyclohexylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 120641312
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 120636454
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride
CID 120629930
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4,4-diethylpiperidin-1-yl)methanone
CID 66390323
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 120625539
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 66389368
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120642693
2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride
CID 120646195
[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120624522
[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 120618193
1-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 120629970
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120641393

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide;dihydrochloride?
The IUPAC name of 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide;dihydrochloride (CID 120640636) is 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide;dihydrochloride.
What is the SMILES notation for 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide;dihydrochloride?
The canonical SMILES for 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide;dihydrochloride is CCN(CC)C(=O)CN1CCN(C(=O)c2csc(CCN)n2)CC1.Cl.Cl.
What is the InChIKey of 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide;dihydrochloride?
The InChIKey is OXWOJDFOTPJRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2S.2ClH/c1-3-20(4-2)15(22)11-19-7-9-21(10-8-19)16(23)13-12-24-14(18-13)5-6-17;;/h12H,3-11,17H2,1-2H3;2*1H.
What are the key properties of 2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide;dihydrochloride?
2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide;dihydrochloride has a molecular weight of 426.41 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 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,N-diethylacetamide;dihydrochloride is sourced from PubChem (CID 120640636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).