[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone

C18H16BrN3OS2 — CID 122329052

IUPAC[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone
SMILESCn1nc(-c2cccs2)cc1C(=O)N1CCSC1c1ccc(Br)cc1
InChIInChI=1S/C18H16BrN3OS2/c1-21-15(11-14(20-21)16-3-2-9-24-16)17(23)22-8-10-25-18(22)12-4-6-13(19)7-5-12/h2-7,9,11,18H,8,10H2,1H3
InChIKeyVVGGVSPQZYDGKX-UHFFFAOYSA-N
MW434.38 g/mol
LogP4.80
Rot. Bonds3

About [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone

[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone (PubChem CID 122329052) has the molecular formula C18H16BrN3OS2 and a molecular weight of 434.38 g/mol. Its IUPAC name is [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone
PubChem CID122329052
Molecular FormulaC18H16BrN3OS2
Molecular Weight434.38 g/mol
Exact Mass432.99
IUPAC Name[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone
SMILESCn1nc(-c2cccs2)cc1C(=O)N1CCSC1c1ccc(Br)cc1
InChIInChI=1S/C18H16BrN3OS2/c1-21-15(11-14(20-21)16-3-2-9-24-16)17(23)22-8-10-25-18(22)12-4-6-13(19)7-5-12/h2-7,9,11,18H,8,10H2,1H3
InChIKeyVVGGVSPQZYDGKX-UHFFFAOYSA-N
XLogP4.80
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.38
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone
CID 122329030
(4-bromophenyl)-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)methanone
CID 3439384
2-[2-(4-bromophenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 44785158
[(3R)-3-(4-methoxyphenyl)azepan-1-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 99876809
[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 122330092
[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone
CID 122329069
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone
CID 122331421
ethyl 1-(1-methyl-3-thiophen-2-ylpyrazole-5-carbonyl)piperidine-4-carboxylate
CID 42762142
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762130
1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812762
[(2R)-2-(3,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 99985881
(4aS,8aS)-1-methyl-7-(1-methyl-3-thiophen-2-ylpyrazole-5-carbonyl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 135092501

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone?
The IUPAC name of [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone (CID 122329052) is [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone is Cn1nc(-c2cccs2)cc1C(=O)N1CCSC1c1ccc(Br)cc1.
What is the InChIKey of [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone?
The InChIKey is VVGGVSPQZYDGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3OS2/c1-21-15(11-14(20-21)16-3-2-9-24-16)17(23)22-8-10-25-18(22)12-4-6-13(19)7-5-12/h2-7,9,11,18H,8,10H2,1H3.
What are the key properties of [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone?
[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone has a molecular weight of 434.38 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 122329052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).