3-(4-methyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride

C17H23Cl2N3OS — CID 119535155

IUPAC3-(4-methyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride
SMILESCc1csc(-c2cccc(C(=O)NCCC3CCNC3)c2)n1.Cl.Cl
InChIInChI=1S/C17H21N3OS.2ClH/c1-12-11-22-17(20-12)15-4-2-3-14(9-15)16(21)19-8-6-13-5-7-18-10-13;;/h2-4,9,11,13,18H,5-8,10H2,1H3,(H,19,21);2*1H
InChIKeyAQGDCRGEOHSNSH-UHFFFAOYSA-N
MW388.36 g/mol
LogP3.69
Rot. Bonds5

About 3-(4-methyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride

3-(4-methyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride (PubChem CID 119535155) has the molecular formula C17H23Cl2N3OS and a molecular weight of 388.36 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride
PubChem CID119535155
Molecular FormulaC17H23Cl2N3OS
Molecular Weight388.36 g/mol
Exact Mass387.09
IUPAC Name3-(4-methyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride
SMILESCc1csc(-c2cccc(C(=O)NCCC3CCNC3)c2)n1.Cl.Cl
InChIInChI=1S/C17H21N3OS.2ClH/c1-12-11-22-17(20-12)15-4-2-3-14(9-15)16(21)19-8-6-13-5-7-18-10-13;;/h2-4,9,11,13,18H,5-8,10H2,1H3,(H,19,21);2*1H
InChIKeyAQGDCRGEOHSNSH-UHFFFAOYSA-N
XLogP3.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-methyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;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

3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
N-(3-methylpiperidin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride
CID 120553090
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 120947563
N-(2-pyrrolidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119537157
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628909
3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557781
5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119535829
4-methyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119534158
N-[2-(methylamino)propyl]-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride
CID 120828174
3-(carbamoylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534577
2-(furan-3-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119538180

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride?
The IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride (CID 119535155) is 3-(4-methyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride is Cc1csc(-c2cccc(C(=O)NCCC3CCNC3)c2)n1.Cl.Cl.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride?
The InChIKey is AQGDCRGEOHSNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS.2ClH/c1-12-11-22-17(20-12)15-4-2-3-14(9-15)16(21)19-8-6-13-5-7-18-10-13;;/h2-4,9,11,13,18H,5-8,10H2,1H3,(H,19,21);2*1H.
What are the key properties of 3-(4-methyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride?
3-(4-methyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride has a molecular weight of 388.36 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride is sourced from PubChem (CID 119535155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).