4-bromo-5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyl-1,3-thiazole

C11H14BrN3S — CID 164719415

IUPAC4-bromo-5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyl-1,3-thiazole
SMILESCCc1cc(Cc2sc(C)nc2Br)n(C)n1
InChIInChI=1S/C11H14BrN3S/c1-4-8-5-9(15(3)14-8)6-10-11(12)13-7(2)16-10/h5H,4,6H2,1-3H3
InChIKeyJPBGMHGAZMIEDU-UHFFFAOYSA-N
MW300.23 g/mol
LogP3.10
Rot. Bonds3

About 4-bromo-5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyl-1,3-thiazole

4-bromo-5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyl-1,3-thiazole (PubChem CID 164719415) has the molecular formula C11H14BrN3S and a molecular weight of 300.23 g/mol. Its IUPAC name is 4-bromo-5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyl-1,3-thiazole
PubChem CID164719415
Molecular FormulaC11H14BrN3S
Molecular Weight300.23 g/mol
Exact Mass299.01
IUPAC Name4-bromo-5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyl-1,3-thiazole
SMILESCCc1cc(Cc2sc(C)nc2Br)n(C)n1
InChIInChI=1S/C11H14BrN3S/c1-4-8-5-9(15(3)14-8)6-10-11(12)13-7(2)16-10/h5H,4,6H2,1-3H3
InChIKeyJPBGMHGAZMIEDU-UHFFFAOYSA-N
XLogP3.10
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-bromo-5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyl-1,3-thiazole (CID 164719415) is 4-bromo-5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-bromo-5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-bromo-5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyl-1,3-thiazole is CCc1cc(Cc2sc(C)nc2Br)n(C)n1.
What is the InChIKey of 4-bromo-5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyl-1,3-thiazole?
The InChIKey is JPBGMHGAZMIEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3S/c1-4-8-5-9(15(3)14-8)6-10-11(12)13-7(2)16-10/h5H,4,6H2,1-3H3.
What are the key properties of 4-bromo-5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyl-1,3-thiazole?
4-bromo-5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyl-1,3-thiazole has a molecular weight of 300.23 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 164719415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).