N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chloro-1,3-thiazol-2-yl)thiophene-2-carboxamide

C15H16ClN3OS2 — CID 18180343

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chloro-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(-c2nc(Cl)cs2)s1
InChIInChI=1S/C15H16ClN3OS2/c16-13-8-21-15(18-13)12-2-1-11(22-12)14(20)17-10-7-19-5-3-9(10)4-6-19/h1-2,8-10H,3-7H2,(H,17,20)
InChIKeyRCLKUUBMYQYYKR-UHFFFAOYSA-N
MW353.90 g/mol
LogP3.35
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chloro-1,3-thiazol-2-yl)thiophene-2-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chloro-1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 18180343) has the molecular formula C15H16ClN3OS2 and a molecular weight of 353.90 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chloro-1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chloro-1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID18180343
Molecular FormulaC15H16ClN3OS2
Molecular Weight353.90 g/mol
Exact Mass353.04
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chloro-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(-c2nc(Cl)cs2)s1
InChIInChI=1S/C15H16ClN3OS2/c16-13-8-21-15(18-13)12-2-1-11(22-12)14(20)17-10-7-19-5-3-9(10)4-6-19/h1-2,8-10H,3-7H2,(H,17,20)
InChIKeyRCLKUUBMYQYYKR-UHFFFAOYSA-N
XLogP3.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.90
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chloro-1,3-thiazol-2-yl)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-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-(11C)carboxamide
CID 10041150
N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-(5-chlorothiophen-2-yl)thiophene-2-carboxamide
CID 22350872
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[(6-chloro-2-pyridinyl)oxy]thiophene-2-carboxamide
CID 18181776
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-(2-methyl-4-pyridinyl)thiophene-2-carboxamide
CID 18181309
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-quinolin-8-ylthiophene-2-carboxamide
CID 10155631
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-5-ylsulfanyl)thiophene-2-carboxamide
CID 18180518
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 10291113
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)thiophene-2-carboxamide
CID 18182118
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3,4-thiadiazol-2-ylsulfanyl)thiophene-2-carboxamide
CID 18181872

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chloro-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chloro-1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 18180343) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chloro-1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chloro-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chloro-1,3-thiazol-2-yl)thiophene-2-carboxamide is O=C(NC1CN2CCC1CC2)c1ccc(-c2nc(Cl)cs2)s1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chloro-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is RCLKUUBMYQYYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS2/c16-13-8-21-15(18-13)12-2-1-11(22-12)14(20)17-10-7-19-5-3-9(10)4-6-19/h1-2,8-10H,3-7H2,(H,17,20).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chloro-1,3-thiazol-2-yl)thiophene-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chloro-1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 353.90 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chloro-1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 18180343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).