2-(3,4-dimethoxyphenyl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

C22H23N3O5S2 — CID 42490383

IUPAC2-(3,4-dimethoxyphenyl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)s2)cc1OC
InChIInChI=1S/C22H23N3O5S2/c1-14-20(31-22(23-14)15-5-10-18(29-2)19(13-15)30-3)21(26)24-16-6-8-17(9-7-16)25-11-4-12-32(25,27)28/h5-10,13H,4,11-12H2,1-3H3,(H,24,26)
InChIKeyKEESFKQPUMGRPZ-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.93
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

2-(3,4-dimethoxyphenyl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 42490383) has the molecular formula C22H23N3O5S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID42490383
Molecular FormulaC22H23N3O5S2
Molecular Weight473.58 g/mol
Exact Mass473.11
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)s2)cc1OC
InChIInChI=1S/C22H23N3O5S2/c1-14-20(31-22(23-14)15-5-10-18(29-2)19(13-15)30-3)21(26)24-16-6-8-17(9-7-16)25-11-4-12-32(25,27)28/h5-10,13H,4,11-12H2,1-3H3,(H,24,26)
InChIKeyKEESFKQPUMGRPZ-UHFFFAOYSA-N
XLogP3.93
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide
CID 55678350
N-(3-acetamido-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24666779
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27160888
2-butyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55686055
N-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685697
2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 18280439
2-(3,4-dimethoxyphenyl)-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 24655008
2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55669716
2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-5-carboxamide
CID 55855136
2-(3,4-dimethoxyphenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 42534442
N-(5-acetamido-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55551115
N-(2,6-difluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 134044579

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 42490383) is 2-(3,4-dimethoxyphenyl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)s2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is KEESFKQPUMGRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S2/c1-14-20(31-22(23-14)15-5-10-18(29-2)19(13-15)30-3)21(26)24-16-6-8-17(9-7-16)25-11-4-12-32(25,27)28/h5-10,13H,4,11-12H2,1-3H3,(H,24,26).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(3,4-dimethoxyphenyl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42490383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).