N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride

C21H25Cl2N5OS — CID 120755186

IUPACN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride
SMILESCc1nc(-c2cccc(NC(=O)CN3CCNCC3c3cccnc3)c2)cs1.Cl.Cl
InChIInChI=1S/C21H23N5OS.2ClH/c1-15-24-19(14-28-15)16-4-2-6-18(10-16)25-21(27)13-26-9-8-23-12-20(26)17-5-3-7-22-11-17;;/h2-7,10-11,14,20,23H,8-9,12-13H2,1H3,(H,25,27);2*1H
InChIKeyDFGJIICNNNZGQU-UHFFFAOYSA-N
MW466.44 g/mol
LogP3.94
Rot. Bonds5

About N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride (PubChem CID 120755186) has the molecular formula C21H25Cl2N5OS and a molecular weight of 466.44 g/mol. Its IUPAC name is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride
PubChem CID120755186
Molecular FormulaC21H25Cl2N5OS
Molecular Weight466.44 g/mol
Exact Mass465.12
IUPAC NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride
SMILESCc1nc(-c2cccc(NC(=O)CN3CCNCC3c3cccnc3)c2)cs1.Cl.Cl
InChIInChI=1S/C21H23N5OS.2ClH/c1-15-24-19(14-28-15)16-4-2-6-18(10-16)25-21(27)13-26-9-8-23-12-20(26)17-5-3-7-22-11-17;;/h2-7,10-11,14,20,23H,8-9,12-13H2,1H3,(H,25,27);2*1H
InChIKeyDFGJIICNNNZGQU-UHFFFAOYSA-N
XLogP3.94
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755187
N-(2,6-dimethylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755901
N-(4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755246
N-(4-propan-2-ylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754746
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754464
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride
CID 120755819
N-(2,6-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755673
N-(4-chloro-2-methylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755860
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide
CID 120731082
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 111427212
N-(4-chloro-3-nitrophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755599
N-[(4-methoxyphenyl)carbamoyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755324

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride?
The IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride (CID 120755186) is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride?
The canonical SMILES for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride is Cc1nc(-c2cccc(NC(=O)CN3CCNCC3c3cccnc3)c2)cs1.Cl.Cl.
What is the InChIKey of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride?
The InChIKey is DFGJIICNNNZGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS.2ClH/c1-15-24-19(14-28-15)16-4-2-6-18(10-16)25-21(27)13-26-9-8-23-12-20(26)17-5-3-7-22-11-17;;/h2-7,10-11,14,20,23H,8-9,12-13H2,1H3,(H,25,27);2*1H.
What are the key properties of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride?
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride has a molecular weight of 466.44 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120755186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).