4-bromo-2-(3-methyl-2-pyridinyl)-1,3-thiazole

C9H7BrN2S — CID 155230325

IUPAC4-bromo-2-(3-methyl-2-pyridinyl)-1,3-thiazole
SMILESCc1cccnc1-c1nc(Br)cs1
InChIInChI=1S/C9H7BrN2S/c1-6-3-2-4-11-8(6)9-12-7(10)5-13-9/h2-5H,1H3
InChIKeyMZZFBHOSWDCNMM-UHFFFAOYSA-N
MW255.14 g/mol
LogP3.28
Rot. Bonds1

About 4-bromo-2-(3-methyl-2-pyridinyl)-1,3-thiazole

4-bromo-2-(3-methyl-2-pyridinyl)-1,3-thiazole (PubChem CID 155230325) has the molecular formula C9H7BrN2S and a molecular weight of 255.14 g/mol. Its IUPAC name is 4-bromo-2-(3-methyl-2-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(3-methyl-2-pyridinyl)-1,3-thiazole
PubChem CID155230325
Molecular FormulaC9H7BrN2S
Molecular Weight255.14 g/mol
Exact Mass253.95
IUPAC Name4-bromo-2-(3-methyl-2-pyridinyl)-1,3-thiazole
SMILESCc1cccnc1-c1nc(Br)cs1
InChIInChI=1S/C9H7BrN2S/c1-6-3-2-4-11-8(6)9-12-7(10)5-13-9/h2-5H,1H3
InChIKeyMZZFBHOSWDCNMM-UHFFFAOYSA-N
XLogP3.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-methyl-2-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(3-methyl-2-pyridinyl)-1,3-thiazole (CID 155230325) is 4-bromo-2-(3-methyl-2-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(3-methyl-2-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(3-methyl-2-pyridinyl)-1,3-thiazole is Cc1cccnc1-c1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-(3-methyl-2-pyridinyl)-1,3-thiazole?
The InChIKey is MZZFBHOSWDCNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2S/c1-6-3-2-4-11-8(6)9-12-7(10)5-13-9/h2-5H,1H3.
What are the key properties of 4-bromo-2-(3-methyl-2-pyridinyl)-1,3-thiazole?
4-bromo-2-(3-methyl-2-pyridinyl)-1,3-thiazole has a molecular weight of 255.14 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-methyl-2-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 155230325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).