N-(3-benzoylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride

C22H21Cl2N3O2S — CID 67898557

IUPACN-(3-benzoylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(c1ccccc1)c1cccc(NC(=O)C2CSC(c3cccnc3)N2)c1
InChIInChI=1S/C22H19N3O2S.2ClH/c26-20(15-6-2-1-3-7-15)16-8-4-10-18(12-16)24-21(27)19-14-28-22(25-19)17-9-5-11-23-13-17;;/h1-13,19,22,25H,14H2,(H,24,27);2*1H
InChIKeyCXUCBFDJSJNZLS-UHFFFAOYSA-N
MW462.40 g/mol
LogP4.50
Rot. Bonds5

About N-(3-benzoylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride

N-(3-benzoylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride (PubChem CID 67898557) has the molecular formula C22H21Cl2N3O2S and a molecular weight of 462.40 g/mol. Its IUPAC name is N-(3-benzoylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-benzoylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride
PubChem CID67898557
Molecular FormulaC22H21Cl2N3O2S
Molecular Weight462.40 g/mol
Exact Mass461.07
IUPAC NameN-(3-benzoylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(c1ccccc1)c1cccc(NC(=O)C2CSC(c3cccnc3)N2)c1
InChIInChI=1S/C22H19N3O2S.2ClH/c26-20(15-6-2-1-3-7-15)16-8-4-10-18(12-16)24-21(27)19-14-28-22(25-19)17-9-5-11-23-13-17;;/h1-13,19,22,25H,14H2,(H,24,27);2*1H
InChIKeyCXUCBFDJSJNZLS-UHFFFAOYSA-N
XLogP4.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.40
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 14881601
2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 19894108
(4R)-N-(3-chlorophenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
CID 10313907
N-(3-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
CID 14881592
1-(3-benzoylphenyl)-3-[(2-pyridin-3-yl-2H-1,3-thiazol-3-id-4-yl)methyl]urea;dihydrochloride
CID 19876887
phenyl-[3-[(2-pyridin-3-yl-1,3-dithiolan-4-yl)methylamino]phenyl]methanone
CID 54190089
N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
CID 67902424
(3S,4R)-4-phenyl-N-[3-(pyridin-3-ylamino)phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 162471027
N-(3-butoxypropyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
CID 14881673
methyl (2S)-4-methyl-2-[(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)amino]pentanoate
CID 14881578
N-(3-benzoylphenyl)-2-(2,3-dihydro-1,3-thiazol-4-yl)-2-pyridin-3-ylacetamide
CID 67898549
(2,5-dimethyl-1H-indol-3-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone
CID 57113167

Frequently Asked Questions

What is the IUPAC name of N-(3-benzoylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-(3-benzoylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride (CID 67898557) is N-(3-benzoylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-benzoylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-benzoylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride is Cl.Cl.O=C(c1ccccc1)c1cccc(NC(=O)C2CSC(c3cccnc3)N2)c1.
What is the InChIKey of N-(3-benzoylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The InChIKey is CXUCBFDJSJNZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S.2ClH/c26-20(15-6-2-1-3-7-15)16-8-4-10-18(12-16)24-21(27)19-14-28-22(25-19)17-9-5-11-23-13-17;;/h1-13,19,22,25H,14H2,(H,24,27);2*1H.
What are the key properties of N-(3-benzoylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride?
N-(3-benzoylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride has a molecular weight of 462.40 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 67898557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).