[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone

C18H19F2N5OS2 — CID 86860143

IUPAC[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ccsc2)sc1C(=O)N1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C18H19F2N5OS2/c1-12-15(28-16(22-12)13-2-9-27-11-13)17(26)24-7-5-23(6-8-24)10-14-21-3-4-25(14)18(19)20/h2-4,9,11,18H,5-8,10H2,1H3
InChIKeyDQRLUASVVSUDRX-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.73
Rot. Bonds5

About [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone

[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone (PubChem CID 86860143) has the molecular formula C18H19F2N5OS2 and a molecular weight of 423.51 g/mol. Its IUPAC name is [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
PubChem CID86860143
Molecular FormulaC18H19F2N5OS2
Molecular Weight423.51 g/mol
Exact Mass423.10
IUPAC Name[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ccsc2)sc1C(=O)N1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C18H19F2N5OS2/c1-12-15(28-16(22-12)13-2-9-27-11-13)17(26)24-7-5-23(6-8-24)10-14-21-3-4-25(14)18(19)20/h2-4,9,11,18H,5-8,10H2,1H3
InChIKeyDQRLUASVVSUDRX-UHFFFAOYSA-N
XLogP3.73
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone (CID 86860143) is [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone is Cc1nc(-c2ccsc2)sc1C(=O)N1CCN(Cc2nccn2C(F)F)CC1.
What is the InChIKey of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is DQRLUASVVSUDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5OS2/c1-12-15(28-16(22-12)13-2-9-27-11-13)17(26)24-7-5-23(6-8-24)10-14-21-3-4-25(14)18(19)20/h2-4,9,11,18H,5-8,10H2,1H3.
What are the key properties of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone?
[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 423.51 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 86860143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).