N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-oxazol-5-ylsulfanyl)thiophene-2-carboxamide

C16H19N3O2S2 — CID 18180912

IUPACN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-oxazol-5-ylsulfanyl)thiophene-2-carboxamide
SMILESCC1C(NC(=O)c2ccc(Sc3cnco3)s2)C2CCN1CC2
InChIInChI=1S/C16H19N3O2S2/c1-10-15(11-4-6-19(10)7-5-11)18-16(20)12-2-3-14(22-12)23-13-8-17-9-21-13/h2-3,8-11,15H,4-7H2,1H3,(H,18,20)
InChIKeyPIXAFFJSGMDNRG-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.10
Rot. Bonds4

About N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-oxazol-5-ylsulfanyl)thiophene-2-carboxamide

N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-oxazol-5-ylsulfanyl)thiophene-2-carboxamide (PubChem CID 18180912) has the molecular formula C16H19N3O2S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-oxazol-5-ylsulfanyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-oxazol-5-ylsulfanyl)thiophene-2-carboxamide
PubChem CID18180912
Molecular FormulaC16H19N3O2S2
Molecular Weight349.48 g/mol
Exact Mass349.09
IUPAC NameN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-oxazol-5-ylsulfanyl)thiophene-2-carboxamide
SMILESCC1C(NC(=O)c2ccc(Sc3cnco3)s2)C2CCN1CC2
InChIInChI=1S/C16H19N3O2S2/c1-10-15(11-4-6-19(10)7-5-11)18-16(20)12-2-3-14(22-12)23-13-8-17-9-21-13/h2-3,8-11,15H,4-7H2,1H3,(H,18,20)
InChIKeyPIXAFFJSGMDNRG-UHFFFAOYSA-N
XLogP3.10
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-thiophen-3-ylsulfanylthiophene-2-carboxamide
CID 18181393
5-[(5-chloro-1,3-thiazol-2-yl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18181259
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-2-ylsulfanyl)thiophene-2-carboxamide
CID 18180759
5-(3-acetylphenyl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18181730
4-(5-acetylthiophen-2-yl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18399843
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(1,3-oxazol-5-ylsulfanyl)thiophene-2-carboxamide
CID 70025930
5-methoxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-(11C)carboxamide
CID 10062163
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-1,3-oxazol-2-yl)thiophene-2-carboxamide
CID 18181466
5-(4-hydroxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18181190
5-[(2-methoxy-1,3-thiazol-5-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18180711
5-[(4-methoxy-1,3-oxazol-2-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18182005
5-(4-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18180934

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-oxazol-5-ylsulfanyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-oxazol-5-ylsulfanyl)thiophene-2-carboxamide (CID 18180912) is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-oxazol-5-ylsulfanyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-oxazol-5-ylsulfanyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-oxazol-5-ylsulfanyl)thiophene-2-carboxamide is CC1C(NC(=O)c2ccc(Sc3cnco3)s2)C2CCN1CC2.
What is the InChIKey of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-oxazol-5-ylsulfanyl)thiophene-2-carboxamide?
The InChIKey is PIXAFFJSGMDNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S2/c1-10-15(11-4-6-19(10)7-5-11)18-16(20)12-2-3-14(22-12)23-13-8-17-9-21-13/h2-3,8-11,15H,4-7H2,1H3,(H,18,20).
What are the key properties of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-oxazol-5-ylsulfanyl)thiophene-2-carboxamide?
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-oxazol-5-ylsulfanyl)thiophene-2-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-oxazol-5-ylsulfanyl)thiophene-2-carboxamide is sourced from PubChem (CID 18180912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).