N-[4-(difluoromethoxy)phenyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carbothioamide

C19H18F2N2OS — CID 8660250

IUPACN-[4-(difluoromethoxy)phenyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carbothioamide
SMILESFC(F)Oc1ccc(NC(=S)N2CC=C(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H18F2N2OS/c20-18(21)24-17-8-6-16(7-9-17)22-19(25)23-12-10-15(11-13-23)14-4-2-1-3-5-14/h1-10,18H,11-13H2,(H,22,25)
InChIKeyPNIIKVJHLMUUDS-UHFFFAOYSA-N
MW360.43 g/mol
LogP4.77
Rot. Bonds4

About N-[4-(difluoromethoxy)phenyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carbothioamide

N-[4-(difluoromethoxy)phenyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carbothioamide (PubChem CID 8660250) has the molecular formula C19H18F2N2OS and a molecular weight of 360.43 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carbothioamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carbothioamide
PubChem CID8660250
Molecular FormulaC19H18F2N2OS
Molecular Weight360.43 g/mol
Exact Mass360.11
IUPAC NameN-[4-(difluoromethoxy)phenyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carbothioamide
SMILESFC(F)Oc1ccc(NC(=S)N2CC=C(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H18F2N2OS/c20-18(21)24-17-8-6-16(7-9-17)22-19(25)23-12-10-15(11-13-23)14-4-2-1-3-5-14/h1-10,18H,11-13H2,(H,22,25)
InChIKeyPNIIKVJHLMUUDS-UHFFFAOYSA-N
XLogP4.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-4-(2-hydroxyphenyl)piperazine-1-carbothioamide
CID 2372157
N-[4-(difluoromethoxy)phenyl]-4-(2-methoxyphenyl)piperazine-1-carbothioamide
CID 3580341
N-(3,5-dichlorophenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 3459033
1-[[4-(difluoromethoxy)phenyl]carbamothioyl]piperidine-4-carboxamide
CID 7943164
N-[4-(difluoromethoxy)phenyl]-4-(thiophene-2-carbonyl)piperazine-1-carbothioamide
CID 9218517
(2S)-N-[4-(difluoromethoxy)phenyl]-4-methyl-2-phenylpiperazine-1-carbothioamide
CID 8600373
1-[4-(difluoromethoxy)phenyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]thiourea
CID 8657164
N-tert-butyl-2-[4-[[4-(difluoromethoxy)phenyl]carbamothioyl]piperazin-1-yl]acetamide
CID 9213724
N-[4-(difluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47162409
N-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide
CID 115629749
1-[fluoro(fluoro)methoxy]-4-phenylbenzene
CID 172516407
N-[4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbothioamide
CID 8500214

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carbothioamide (CID 8660250) is N-[4-(difluoromethoxy)phenyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carbothioamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carbothioamide is FC(F)Oc1ccc(NC(=S)N2CC=C(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
The InChIKey is PNIIKVJHLMUUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2OS/c20-18(21)24-17-8-6-16(7-9-17)22-19(25)23-12-10-15(11-13-23)14-4-2-1-3-5-14/h1-10,18H,11-13H2,(H,22,25).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carbothioamide?
N-[4-(difluoromethoxy)phenyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carbothioamide has a molecular weight of 360.43 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carbothioamide is sourced from PubChem (CID 8660250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).