N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(1,3-thiazolidin-4-yl)methyl]formamide

C22H23N3O3S2 — CID 54224136

IUPACN-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(1,3-thiazolidin-4-yl)methyl]formamide
SMILESCOc1ccc(-c2nc(C(NC=O)C3CSCN3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H23N3O3S2/c1-27-16-7-3-14(4-8-16)19-21(15-5-9-17(28-2)10-6-15)30-22(25-19)20(23-12-26)18-11-29-13-24-18/h3-10,12,18,20,24H,11,13H2,1-2H3,(H,23,26)
InChIKeyQERHDMDVTSCJHF-UHFFFAOYSA-N
MW441.58 g/mol
LogP3.94
Rot. Bonds8

About N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(1,3-thiazolidin-4-yl)methyl]formamide

N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(1,3-thiazolidin-4-yl)methyl]formamide (PubChem CID 54224136) has the molecular formula C22H23N3O3S2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(1,3-thiazolidin-4-yl)methyl]formamide.

Molecular Properties

Compound NameN-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(1,3-thiazolidin-4-yl)methyl]formamide
PubChem CID54224136
Molecular FormulaC22H23N3O3S2
Molecular Weight441.58 g/mol
Exact Mass441.12
IUPAC NameN-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(1,3-thiazolidin-4-yl)methyl]formamide
SMILESCOc1ccc(-c2nc(C(NC=O)C3CSCN3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H23N3O3S2/c1-27-16-7-3-14(4-8-16)19-21(15-5-9-17(28-2)10-6-15)30-22(25-19)20(23-12-26)18-11-29-13-24-18/h3-10,12,18,20,24H,11,13H2,1-2H3,(H,23,26)
InChIKeyQERHDMDVTSCJHF-UHFFFAOYSA-N
XLogP3.94
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4,5-bis(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
CID 13015383
N-cyclopentyl-4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8850714
4,5-bis(4-methoxyphenyl)-2-methylsulfanyl-1,3-thiazole
CID 13209670
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
2-(4,5-diphenyl-1,3-thiazol-2-yl)-2-sulfanylacetaldehyde
CID 88826355
N-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119288084
N-[1-(4-methoxyphenyl)ethyl]formamide
CID 3115584
4,5-bis(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
CID 4788158
2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 19748887
4-chloro-3-(4-methoxyphenyl)-1H-pyrazole-5-carbaldehyde
CID 83912160
4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 88568617
1-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propan-2-yl]-3-propan-2-ylurea
CID 67854777

Frequently Asked Questions

What is the IUPAC name of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(1,3-thiazolidin-4-yl)methyl]formamide?
The IUPAC name of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(1,3-thiazolidin-4-yl)methyl]formamide (CID 54224136) is N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(1,3-thiazolidin-4-yl)methyl]formamide.
What is the SMILES notation for N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(1,3-thiazolidin-4-yl)methyl]formamide?
The canonical SMILES for N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(1,3-thiazolidin-4-yl)methyl]formamide is COc1ccc(-c2nc(C(NC=O)C3CSCN3)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(1,3-thiazolidin-4-yl)methyl]formamide?
The InChIKey is QERHDMDVTSCJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S2/c1-27-16-7-3-14(4-8-16)19-21(15-5-9-17(28-2)10-6-15)30-22(25-19)20(23-12-26)18-11-29-13-24-18/h3-10,12,18,20,24H,11,13H2,1-2H3,(H,23,26).
What are the key properties of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(1,3-thiazolidin-4-yl)methyl]formamide?
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(1,3-thiazolidin-4-yl)methyl]formamide has a molecular weight of 441.58 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(1,3-thiazolidin-4-yl)methyl]formamide is sourced from PubChem (CID 54224136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).