N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl(thian-4-yl)amino]phenyl]formamide

C22H23F2N5O2S — CID 155348163

IUPACN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl(thian-4-yl)amino]phenyl]formamide
SMILESCN(c1ccccc1N(C=O)Cc1ccc(-c2nnc(C(F)F)o2)cn1)C1CCSCC1
InChIInChI=1S/C22H23F2N5O2S/c1-28(17-8-10-32-11-9-17)18-4-2-3-5-19(18)29(14-30)13-16-7-6-15(12-25-16)21-26-27-22(31-21)20(23)24/h2-7,12,14,17,20H,8-11,13H2,1H3
InChIKeyOGBOQRVIMXKEEG-UHFFFAOYSA-N
MW459.52 g/mol
LogP4.56
Rot. Bonds8

About N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl(thian-4-yl)amino]phenyl]formamide

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl(thian-4-yl)amino]phenyl]formamide (PubChem CID 155348163) has the molecular formula C22H23F2N5O2S and a molecular weight of 459.52 g/mol. Its IUPAC name is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl(thian-4-yl)amino]phenyl]formamide.

Molecular Properties

Compound NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl(thian-4-yl)amino]phenyl]formamide
PubChem CID155348163
Molecular FormulaC22H23F2N5O2S
Molecular Weight459.52 g/mol
Exact Mass459.15
IUPAC NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl(thian-4-yl)amino]phenyl]formamide
SMILESCN(c1ccccc1N(C=O)Cc1ccc(-c2nnc(C(F)F)o2)cn1)C1CCSCC1
InChIInChI=1S/C22H23F2N5O2S/c1-28(17-8-10-32-11-9-17)18-4-2-3-5-19(18)29(14-30)13-16-7-6-15(12-25-16)21-26-27-22(31-21)20(23)24/h2-7,12,14,17,20H,8-11,13H2,1H3
InChIKeyOGBOQRVIMXKEEG-UHFFFAOYSA-N
XLogP4.56
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl(thian-4-yl)amino]phenyl]formamide?
The IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl(thian-4-yl)amino]phenyl]formamide (CID 155348163) is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl(thian-4-yl)amino]phenyl]formamide.
What is the SMILES notation for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl(thian-4-yl)amino]phenyl]formamide?
The canonical SMILES for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl(thian-4-yl)amino]phenyl]formamide is CN(c1ccccc1N(C=O)Cc1ccc(-c2nnc(C(F)F)o2)cn1)C1CCSCC1.
What is the InChIKey of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl(thian-4-yl)amino]phenyl]formamide?
The InChIKey is OGBOQRVIMXKEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O2S/c1-28(17-8-10-32-11-9-17)18-4-2-3-5-19(18)29(14-30)13-16-7-6-15(12-25-16)21-26-27-22(31-21)20(23)24/h2-7,12,14,17,20H,8-11,13H2,1H3.
What are the key properties of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl(thian-4-yl)amino]phenyl]formamide?
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl(thian-4-yl)amino]phenyl]formamide has a molecular weight of 459.52 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[2-[methyl(thian-4-yl)amino]phenyl]formamide is sourced from PubChem (CID 155348163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).