N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide

C20H21F2N3OS2 — CID 24575859

IUPACN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cccnc1SC(F)F
InChIInChI=1S/C20H21F2N3OS2/c21-18(22)28-17-14(2-1-3-23-17)16(26)25-19-24-15(10-27-19)20-7-11-4-12(8-20)6-13(5-11)9-20/h1-3,10-13,18H,4-9H2,(H,24,25,26)
InChIKeyGZCBDJGUOQDXHR-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.57
Rot. Bonds5

About N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide

N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide (PubChem CID 24575859) has the molecular formula C20H21F2N3OS2 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
PubChem CID24575859
Molecular FormulaC20H21F2N3OS2
Molecular Weight421.54 g/mol
Exact Mass421.11
IUPAC NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cccnc1SC(F)F
InChIInChI=1S/C20H21F2N3OS2/c21-18(22)28-17-14(2-1-3-23-17)16(26)25-19-24-15(10-27-19)20-7-11-4-12(8-20)6-13(5-11)9-20/h1-3,10-13,18H,4-9H2,(H,24,25,26)
InChIKeyGZCBDJGUOQDXHR-UHFFFAOYSA-N
XLogP5.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(difluoromethylsulfanyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 112773085
2-(difluoromethylsulfanyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 24568681
2-(difluoromethylsulfanyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 112773082
2-(difluoromethylsulfanyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18128699
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 19575135
methyl 4-cyclopentyl-2-[[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 75456655
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 19617210
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 17404336
[[4-(1-adamantyl)-1,3-thiazol-2-yl]carbamoylamino]methyl-triphenylphosphanium
CID 4205633
N-[4-[(5S,7R)-3-chloro-1-adamantyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 51567883
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(dimethylamino)acetamide
CID 42597776
N-[4-[(5S,7R)-3-chloro-1-adamantyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 7174115

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide (CID 24575859) is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide is O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cccnc1SC(F)F.
What is the InChIKey of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is GZCBDJGUOQDXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3OS2/c21-18(22)28-17-14(2-1-3-23-17)16(26)25-19-24-15(10-27-19)20-7-11-4-12(8-20)6-13(5-11)9-20/h1-3,10-13,18H,4-9H2,(H,24,25,26).
What are the key properties of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide?
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 24575859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).