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

C15H17N3OS3 — CID 18180518

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-5-ylsulfanyl)thiophene-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(Sc2cncs2)s1
InChIInChI=1S/C15H17N3OS3/c19-15(17-11-8-18-5-3-10(11)4-6-18)12-1-2-13(21-12)22-14-7-16-9-20-14/h1-2,7,9-11H,3-6,8H2,(H,17,19)
InChIKeyVLAIAVHAZMAIKN-UHFFFAOYSA-N
MW351.52 g/mol
LogP3.18
Rot. Bonds4

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

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-5-ylsulfanyl)thiophene-2-carboxamide (PubChem CID 18180518) has the molecular formula C15H17N3OS3 and a molecular weight of 351.52 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-5-ylsulfanyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-5-ylsulfanyl)thiophene-2-carboxamide
PubChem CID18180518
Molecular FormulaC15H17N3OS3
Molecular Weight351.52 g/mol
Exact Mass351.05
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-5-ylsulfanyl)thiophene-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(Sc2cncs2)s1
InChIInChI=1S/C15H17N3OS3/c19-15(17-11-8-18-5-3-10(11)4-6-18)12-1-2-13(21-12)22-14-7-16-9-20-14/h1-2,7,9-11H,3-6,8H2,(H,17,19)
InChIKeyVLAIAVHAZMAIKN-UHFFFAOYSA-N
XLogP3.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-5-ylsulfanyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3,4-thiadiazol-2-ylsulfanyl)thiophene-2-carboxamide
CID 18181872
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(furan-3-ylsulfanyl)thiophene-2-carboxamide
CID 18181430
5-(4-acetylphenyl)sulfanyl-N-(1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18180951
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[(5-methoxy-1,3,4-oxadiazol-2-yl)sulfanyl]thiophene-2-carboxamide
CID 18181796
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(methanesulfonamido)phenyl]sulfanylthiophene-2-carboxamide
CID 18182099
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-sulfamoylphenyl)sulfanylthiophene-2-carboxamide
CID 18181464
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide
CID 23599499
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide
CID 10271460
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1H-imidazol-5-yl)thiophene-2-carboxamide
CID 18181434
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chloro-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 18180343
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-(11C)carboxamide
CID 10041150
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide
CID 10471783

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-5-ylsulfanyl)thiophene-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-5-ylsulfanyl)thiophene-2-carboxamide (CID 18180518) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-5-ylsulfanyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-5-ylsulfanyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-5-ylsulfanyl)thiophene-2-carboxamide is O=C(NC1CN2CCC1CC2)c1ccc(Sc2cncs2)s1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-5-ylsulfanyl)thiophene-2-carboxamide?
The InChIKey is VLAIAVHAZMAIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS3/c19-15(17-11-8-18-5-3-10(11)4-6-18)12-1-2-13(21-12)22-14-7-16-9-20-14/h1-2,7,9-11H,3-6,8H2,(H,17,19).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-5-ylsulfanyl)thiophene-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-5-ylsulfanyl)thiophene-2-carboxamide has a molecular weight of 351.52 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-5-ylsulfanyl)thiophene-2-carboxamide is sourced from PubChem (CID 18180518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).