2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzothiazole

C14H9BrN4S2 — CID 1394754

IUPAC2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzothiazole
SMILESBrc1c(CSc2nc3ccccc3s2)nc2ncccn12
InChIInChI=1S/C14H9BrN4S2/c15-12-10(17-13-16-6-3-7-19(12)13)8-20-14-18-9-4-1-2-5-11(9)21-14/h1-7H,8H2
InChIKeyFTRJWJWFHCFMSL-UHFFFAOYSA-N
MW377.29 g/mol
LogP4.39
Rot. Bonds3

About 2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzothiazole

2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzothiazole (PubChem CID 1394754) has the molecular formula C14H9BrN4S2 and a molecular weight of 377.29 g/mol. Its IUPAC name is 2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzothiazole
PubChem CID1394754
Molecular FormulaC14H9BrN4S2
Molecular Weight377.29 g/mol
Exact Mass375.95
IUPAC Name2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzothiazole
SMILESBrc1c(CSc2nc3ccccc3s2)nc2ncccn12
InChIInChI=1S/C14H9BrN4S2/c15-12-10(17-13-16-6-3-7-19(12)13)8-20-14-18-9-4-1-2-5-11(9)21-14/h1-7H,8H2
InChIKeyFTRJWJWFHCFMSL-UHFFFAOYSA-N
XLogP4.39
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzothiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzothiazole?
The IUPAC name of 2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzothiazole (CID 1394754) is 2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzothiazole is Brc1c(CSc2nc3ccccc3s2)nc2ncccn12.
What is the InChIKey of 2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzothiazole?
The InChIKey is FTRJWJWFHCFMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN4S2/c15-12-10(17-13-16-6-3-7-19(12)13)8-20-14-18-9-4-1-2-5-11(9)21-14/h1-7H,8H2.
What are the key properties of 2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzothiazole?
2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzothiazole has a molecular weight of 377.29 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromoimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3-benzothiazole is sourced from PubChem (CID 1394754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).