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

C25H25N3O5S — CID 10254533

IUPAC(4R)-2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1cc(C(=O)c2cccc(NC(=O)[C@@H]3CSC(c4cccnc4)N3)c2)cc(OC)c1OC
InChIInChI=1S/C25H25N3O5S/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)/t19-,25?/m0/s1
InChIKeyIXHPJPFGFGYBPD-UBDBMELISA-N
MW479.56 g/mol
LogP3.68
Rot. Bonds8

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

(4R)-2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 10254533) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is (4R)-2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID10254533
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC Name(4R)-2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1cc(C(=O)c2cccc(NC(=O)[C@@H]3CSC(c4cccnc4)N3)c2)cc(OC)c1OC
InChIInChI=1S/C25H25N3O5S/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)/t19-,25?/m0/s1
InChIKeyIXHPJPFGFGYBPD-UBDBMELISA-N
XLogP3.68
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[1-(3-Aminophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 102340756
3,4,5-trimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide
CID 3767848
N-methyl-4-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]pyridine-2-carboxamide
CID 134155621
N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2,3,4-trimethoxybenzamide
CID 2407806
N-[1-(3-Acetyl-phenylcarbamoyl)-2-pyridin-3-yl-vinyl]-3,4-dimethoxy-benzamide
CID 5441796
N-{2-[4-(4-Fluorophenyl)piperazin-1-YL]-2-(pyridin-3-YL)ethyl}-3,4,5-trimethoxybenzamide
CID 16017476
[5-Amino-2-(1,3-thiazol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 52946865
[1-(4-Aminophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708631
[1-[3-(Methylamino)phenyl]pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708632
[1-[3-(Propan-2-ylamino)phenyl]pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708633
[1-(3-Methylphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708641
[6-(1H-pyrrol-3-yl)-2-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
CID 155533158

Frequently Asked Questions

What is the IUPAC name of (4R)-2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide (CID 10254533) is (4R)-2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide is COc1cc(C(=O)c2cccc(NC(=O)[C@@H]3CSC(c4cccnc4)N3)c2)cc(OC)c1OC.
What is the InChIKey of (4R)-2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is IXHPJPFGFGYBPD-UBDBMELISA-N. The full InChI is InChI=1S/C25H25N3O5S/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)/t19-,25?/m0/s1.
What are the key properties of (4R)-2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide?
(4R)-2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-pyridin-3-yl-N-[3-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 10254533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).