4-bromo-5-methyl-2-(2-methyl-1,2-dihydropyridin-5-yl)-1,3-thiazole

C10H11BrN2S — CID 144790061

IUPAC4-bromo-5-methyl-2-(2-methyl-1,2-dihydropyridin-5-yl)-1,3-thiazole
SMILESCc1sc(C2=CNC(C)C=C2)nc1Br
InChIInChI=1S/C10H11BrN2S/c1-6-3-4-8(5-12-6)10-13-9(11)7(2)14-10/h3-6,12H,1-2H3
InChIKeyWRCYPEJVWMEOMQ-UHFFFAOYSA-N
MW271.18 g/mol
LogP3.10
Rot. Bonds1

About 4-bromo-5-methyl-2-(2-methyl-1,2-dihydropyridin-5-yl)-1,3-thiazole

4-bromo-5-methyl-2-(2-methyl-1,2-dihydropyridin-5-yl)-1,3-thiazole (PubChem CID 144790061) has the molecular formula C10H11BrN2S and a molecular weight of 271.18 g/mol. Its IUPAC name is 4-bromo-5-methyl-2-(2-methyl-1,2-dihydropyridin-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-5-methyl-2-(2-methyl-1,2-dihydropyridin-5-yl)-1,3-thiazole
PubChem CID144790061
Molecular FormulaC10H11BrN2S
Molecular Weight271.18 g/mol
Exact Mass269.98
IUPAC Name4-bromo-5-methyl-2-(2-methyl-1,2-dihydropyridin-5-yl)-1,3-thiazole
SMILESCc1sc(C2=CNC(C)C=C2)nc1Br
InChIInChI=1S/C10H11BrN2S/c1-6-3-4-8(5-12-6)10-13-9(11)7(2)14-10/h3-6,12H,1-2H3
InChIKeyWRCYPEJVWMEOMQ-UHFFFAOYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-2-(2-methyl-1,2-dihydropyridin-5-yl)-1,3-thiazole?
The IUPAC name of 4-bromo-5-methyl-2-(2-methyl-1,2-dihydropyridin-5-yl)-1,3-thiazole (CID 144790061) is 4-bromo-5-methyl-2-(2-methyl-1,2-dihydropyridin-5-yl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-5-methyl-2-(2-methyl-1,2-dihydropyridin-5-yl)-1,3-thiazole?
The canonical SMILES for 4-bromo-5-methyl-2-(2-methyl-1,2-dihydropyridin-5-yl)-1,3-thiazole is Cc1sc(C2=CNC(C)C=C2)nc1Br.
What is the InChIKey of 4-bromo-5-methyl-2-(2-methyl-1,2-dihydropyridin-5-yl)-1,3-thiazole?
The InChIKey is WRCYPEJVWMEOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S/c1-6-3-4-8(5-12-6)10-13-9(11)7(2)14-10/h3-6,12H,1-2H3.
What are the key properties of 4-bromo-5-methyl-2-(2-methyl-1,2-dihydropyridin-5-yl)-1,3-thiazole?
4-bromo-5-methyl-2-(2-methyl-1,2-dihydropyridin-5-yl)-1,3-thiazole has a molecular weight of 271.18 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-2-(2-methyl-1,2-dihydropyridin-5-yl)-1,3-thiazole is sourced from PubChem (CID 144790061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).