[4-(difluoromethyl)thiadiazol-5-yl]-(4-methylpiperazin-1-yl)methanone

C9H12F2N4OS — CID 154025248

IUPAC[4-(difluoromethyl)thiadiazol-5-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2snnc2C(F)F)CC1
InChIInChI=1S/C9H12F2N4OS/c1-14-2-4-15(5-3-14)9(16)7-6(8(10)11)12-13-17-7/h8H,2-5H2,1H3
InChIKeyJUJMCWOXRRDZSM-UHFFFAOYSA-N
MW262.28 g/mol
LogP0.86
Rot. Bonds2

About [4-(difluoromethyl)thiadiazol-5-yl]-(4-methylpiperazin-1-yl)methanone

[4-(difluoromethyl)thiadiazol-5-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 154025248) has the molecular formula C9H12F2N4OS and a molecular weight of 262.28 g/mol. Its IUPAC name is [4-(difluoromethyl)thiadiazol-5-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(difluoromethyl)thiadiazol-5-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID154025248
Molecular FormulaC9H12F2N4OS
Molecular Weight262.28 g/mol
Exact Mass262.07
IUPAC Name[4-(difluoromethyl)thiadiazol-5-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2snnc2C(F)F)CC1
InChIInChI=1S/C9H12F2N4OS/c1-14-2-4-15(5-3-14)9(16)7-6(8(10)11)12-13-17-7/h8H,2-5H2,1H3
InChIKeyJUJMCWOXRRDZSM-UHFFFAOYSA-N
XLogP0.86
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)thiadiazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-(difluoromethyl)thiadiazol-5-yl]-(4-methylpiperazin-1-yl)methanone (CID 154025248) is [4-(difluoromethyl)thiadiazol-5-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(difluoromethyl)thiadiazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(difluoromethyl)thiadiazol-5-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2snnc2C(F)F)CC1.
What is the InChIKey of [4-(difluoromethyl)thiadiazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is JUJMCWOXRRDZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4OS/c1-14-2-4-15(5-3-14)9(16)7-6(8(10)11)12-13-17-7/h8H,2-5H2,1H3.
What are the key properties of [4-(difluoromethyl)thiadiazol-5-yl]-(4-methylpiperazin-1-yl)methanone?
[4-(difluoromethyl)thiadiazol-5-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 262.28 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)thiadiazol-5-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 154025248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).