2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride

C25H27Cl2N3O5S — CID 19894108

IUPAC2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCOc1cc(C(=O)c2cccc(NC(=O)C3CSC(c4cccnc4)N3)c2)cc(OC)c1OC.Cl.Cl
InChIInChI=1S/C25H25N3O5S.2ClH/c1-31-20-11-17(12-21(32-2)23(20)33-3)22(29)15-6-4-8-18(10-15)27-24(30)19-14-34-25(28-19)16-7-5-9-26-13-16;;/h4-13,19,25,28H,14H2,1-3H3,(H,27,30);2*1H
InChIKeyRJQVITSZBKKOIY-UHFFFAOYSA-N
MW552.48 g/mol
LogP4.52
Rot. Bonds8

About 2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride

2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride (PubChem CID 19894108) has the molecular formula C25H27Cl2N3O5S and a molecular weight of 552.48 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
PubChem CID19894108
Molecular FormulaC25H27Cl2N3O5S
Molecular Weight552.48 g/mol
Exact Mass551.10
IUPAC Name2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCOc1cc(C(=O)c2cccc(NC(=O)C3CSC(c4cccnc4)N3)c2)cc(OC)c1OC.Cl.Cl
InChIInChI=1S/C25H25N3O5S.2ClH/c1-31-20-11-17(12-21(32-2)23(20)33-3)22(29)15-6-4-8-18(10-15)27-24(30)19-14-34-25(28-19)16-7-5-9-26-13-16;;/h4-13,19,25,28H,14H2,1-3H3,(H,27,30);2*1H
InChIKeyRJQVITSZBKKOIY-UHFFFAOYSA-N
XLogP4.52
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.48
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-benzoylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 67898557
N-(3-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
CID 14881592
N-phenyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 14881601
(4R)-N-(3-chlorophenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
CID 10313907
tert-butyl (4R)-2-pyridin-3-yl-4-[[3-(3,4,5-trimethoxybenzoyl)phenyl]carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 10460844
(2-pyridin-4-yl-1,3-thiazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 67120512
methyl (2S)-4-methyl-2-[(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)amino]pentanoate
CID 14881578
tert-butyl N-[3-(3,4,5-trimethoxybenzoyl)phenyl]carbamate
CID 19894106
N-(3-butoxypropyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
CID 14881673
N-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
CID 75972765
1-(3-benzoylphenyl)-3-[(2-pyridin-3-yl-2H-1,3-thiazol-3-id-4-yl)methyl]urea;dihydrochloride
CID 19876887
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The IUPAC name of 2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride (CID 19894108) is 2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride is COc1cc(C(=O)c2cccc(NC(=O)C3CSC(c4cccnc4)N3)c2)cc(OC)c1OC.Cl.Cl.
What is the InChIKey of 2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The InChIKey is RJQVITSZBKKOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S.2ClH/c1-31-20-11-17(12-21(32-2)23(20)33-3)22(29)15-6-4-8-18(10-15)27-24(30)19-14-34-25(28-19)16-7-5-9-26-13-16;;/h4-13,19,25,28H,14H2,1-3H3,(H,27,30);2*1H.
What are the key properties of 2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride has a molecular weight of 552.48 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 19894108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).