2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole

C7H5BrN2S3 — CID 79400180

IUPAC2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole
SMILESCc1csc(Sc2nc(Br)cs2)n1
InChIInChI=1S/C7H5BrN2S3/c1-4-2-11-6(9-4)13-7-10-5(8)3-12-7/h2-3H,1H3
InChIKeyCJMNJJHKLOHQMI-UHFFFAOYSA-N
MW293.24 g/mol
LogP3.82
Rot. Bonds2

About 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole

2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole (PubChem CID 79400180) has the molecular formula C7H5BrN2S3 and a molecular weight of 293.24 g/mol. Its IUPAC name is 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole
PubChem CID79400180
Molecular FormulaC7H5BrN2S3
Molecular Weight293.24 g/mol
Exact Mass291.88
IUPAC Name2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole
SMILESCc1csc(Sc2nc(Br)cs2)n1
InChIInChI=1S/C7H5BrN2S3/c1-4-2-11-6(9-4)13-7-10-5(8)3-12-7/h2-3H,1H3
InChIKeyCJMNJJHKLOHQMI-UHFFFAOYSA-N
XLogP3.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole (CID 79400180) is 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole is Cc1csc(Sc2nc(Br)cs2)n1.
What is the InChIKey of 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole?
The InChIKey is CJMNJJHKLOHQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2S3/c1-4-2-11-6(9-4)13-7-10-5(8)3-12-7/h2-3H,1H3.
What are the key properties of 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole?
2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole has a molecular weight of 293.24 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 79400180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).