4-bromo-5-[[4-(difluoromethyl)pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole

C9H8BrF2N3S — CID 164718710

IUPAC4-bromo-5-[[4-(difluoromethyl)pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(Br)c(Cn2cc(C(F)F)cn2)s1
InChIInChI=1S/C9H8BrF2N3S/c1-5-14-8(10)7(16-5)4-15-3-6(2-13-15)9(11)12/h2-3,9H,4H2,1H3
InChIKeyLXKIRXTYBHCXPA-UHFFFAOYSA-N
MW308.15 g/mol
LogP3.40
Rot. Bonds3

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

4-bromo-5-[[4-(difluoromethyl)pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 164718710) has the molecular formula C9H8BrF2N3S and a molecular weight of 308.15 g/mol. Its IUPAC name is 4-bromo-5-[[4-(difluoromethyl)pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-5-[[4-(difluoromethyl)pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID164718710
Molecular FormulaC9H8BrF2N3S
Molecular Weight308.15 g/mol
Exact Mass306.96
IUPAC Name4-bromo-5-[[4-(difluoromethyl)pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(Br)c(Cn2cc(C(F)F)cn2)s1
InChIInChI=1S/C9H8BrF2N3S/c1-5-14-8(10)7(16-5)4-15-3-6(2-13-15)9(11)12/h2-3,9H,4H2,1H3
InChIKeyLXKIRXTYBHCXPA-UHFFFAOYSA-N
XLogP3.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[[4-(difluoromethyl)pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-bromo-5-[[4-(difluoromethyl)pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole (CID 164718710) is 4-bromo-5-[[4-(difluoromethyl)pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-bromo-5-[[4-(difluoromethyl)pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-bromo-5-[[4-(difluoromethyl)pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole is Cc1nc(Br)c(Cn2cc(C(F)F)cn2)s1.
What is the InChIKey of 4-bromo-5-[[4-(difluoromethyl)pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is LXKIRXTYBHCXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2N3S/c1-5-14-8(10)7(16-5)4-15-3-6(2-13-15)9(11)12/h2-3,9H,4H2,1H3.
What are the key properties of 4-bromo-5-[[4-(difluoromethyl)pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole?
4-bromo-5-[[4-(difluoromethyl)pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 308.15 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[[4-(difluoromethyl)pyrazol-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 164718710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).