[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone

C15H14BrN3OS — CID 122329069

IUPAC[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCSC2c2ccc(Br)cc2)cn1
InChIInChI=1S/C15H14BrN3OS/c1-10-8-18-13(9-17-10)14(20)19-6-7-21-15(19)11-2-4-12(16)5-3-11/h2-5,8-9,15H,6-7H2,1H3
InChIKeyQLKOKBJAJLGYKR-UHFFFAOYSA-N
MW364.27 g/mol
LogP3.44
Rot. Bonds2

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

[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 122329069) has the molecular formula C15H14BrN3OS and a molecular weight of 364.27 g/mol. Its IUPAC name is [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID122329069
Molecular FormulaC15H14BrN3OS
Molecular Weight364.27 g/mol
Exact Mass363.00
IUPAC Name[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCSC2c2ccc(Br)cc2)cn1
InChIInChI=1S/C15H14BrN3OS/c1-10-8-18-13(9-17-10)14(20)19-6-7-21-15(19)11-2-4-12(16)5-3-11/h2-5,8-9,15H,6-7H2,1H3
InChIKeyQLKOKBJAJLGYKR-UHFFFAOYSA-N
XLogP3.44
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-(4-Bromophenyl)pyridin-3-yl)-3-isobutylthiazolidin-4-one
CID 10342500
N-[(4-bromophenyl)methyl]-5-chloro-pyrazine-2-carboxamide
CID 71655509
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]pyrazine-2-carboxamide
CID 56814670
5-methyl-N-(4-oxo-2-phenyl-thiazolidin-3-yl)pyrazine-2-carboxamide
CID 127053297
6-[(4-bromo-2,6-difluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyrazin-5-one
CID 171527966
2-(3-Bromo-4-fluorophenyl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one
CID 3697526
N-[(5-bromo-2-fluorophenyl)methyl]-N,5-dimethylpyrazine-2-carboxamide
CID 52571820
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-methylpyrazine-2-carboxamide
CID 52572819
N-[(5-bromo-2-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 52572890
N-[(4-bromo-2-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 60290598
[5-(4-Bromophenyl)-3,4-dihydropyrazol-2-yl]-pyrazin-2-ylmethanone
CID 69892037
2-[4-(4-Bromophenyl)-3-pyridinyl]-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one
CID 3250533

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone (CID 122329069) is [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCSC2c2ccc(Br)cc2)cn1.
What is the InChIKey of [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is QLKOKBJAJLGYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3OS/c1-10-8-18-13(9-17-10)14(20)19-6-7-21-15(19)11-2-4-12(16)5-3-11/h2-5,8-9,15H,6-7H2,1H3.
What are the key properties of [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone?
[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 364.27 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 122329069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).