5-[[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole

C15H21F2N5S — CID 71972868

IUPAC5-[[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(CN2CCN(Cc3nccn3C(F)F)CC2)s1
InChIInChI=1S/C15H21F2N5S/c1-11-13(23-12(2)19-11)9-20-5-7-21(8-6-20)10-14-18-3-4-22(14)15(16)17/h3-4,15H,5-10H2,1-2H3
InChIKeyQMYIELGXYQLOID-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.67
Rot. Bonds5

About 5-[[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole

5-[[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole (PubChem CID 71972868) has the molecular formula C15H21F2N5S and a molecular weight of 341.43 g/mol. Its IUPAC name is 5-[[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
PubChem CID71972868
Molecular FormulaC15H21F2N5S
Molecular Weight341.43 g/mol
Exact Mass341.15
IUPAC Name5-[[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(CN2CCN(Cc3nccn3C(F)F)CC2)s1
InChIInChI=1S/C15H21F2N5S/c1-11-13(23-12(2)19-11)9-20-5-7-21(8-6-20)10-14-18-3-4-22(14)15(16)17/h3-4,15H,5-10H2,1-2H3
InChIKeyQMYIELGXYQLOID-UHFFFAOYSA-N
XLogP2.67
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole (CID 71972868) is 5-[[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(CN2CCN(Cc3nccn3C(F)F)CC2)s1.
What is the InChIKey of 5-[[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is QMYIELGXYQLOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N5S/c1-11-13(23-12(2)19-11)9-20-5-7-21(8-6-20)10-14-18-3-4-22(14)15(16)17/h3-4,15H,5-10H2,1-2H3.
What are the key properties of 5-[[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole?
5-[[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 341.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 71972868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).