N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-cyanophenyl)-1,3-thiazole-5-carboxamide

C17H16N4OS — CID 18535116

IUPACN-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-cyanophenyl)-1,3-thiazole-5-carboxamide
SMILESN#Cc1ccc(-c2ncc(C(=O)NC3CC4CCC3N4)s2)cc1
InChIInChI=1S/C17H16N4OS/c18-8-10-1-3-11(4-2-10)17-19-9-15(23-17)16(22)21-14-7-12-5-6-13(14)20-12/h1-4,9,12-14,20H,5-7H2,(H,21,22)
InChIKeyWUSVKEZDADWIDN-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.30
Rot. Bonds3

About N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-cyanophenyl)-1,3-thiazole-5-carboxamide

N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-cyanophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 18535116) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-cyanophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-cyanophenyl)-1,3-thiazole-5-carboxamide
PubChem CID18535116
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-cyanophenyl)-1,3-thiazole-5-carboxamide
SMILESN#Cc1ccc(-c2ncc(C(=O)NC3CC4CCC3N4)s2)cc1
InChIInChI=1S/C17H16N4OS/c18-8-10-1-3-11(4-2-10)17-19-9-15(23-17)16(22)21-14-7-12-5-6-13(14)20-12/h1-4,9,12-14,20H,5-7H2,(H,21,22)
InChIKeyWUSVKEZDADWIDN-UHFFFAOYSA-N
XLogP2.30
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-cyanophenyl)-1,3-thiazole-5-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-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3-bromophenyl)-1,3-thiazole-5-carboxamide
CID 18534894
N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 18535437
N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide
CID 18535011
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-cyanophenyl)sulfanylthiophene-2-carboxamide
CID 18535393
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-chloro-3-pyridinyl)thiophene-2-carboxamide
CID 18535453
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(5-chloro-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 70025572
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-fluoro-3-pyridinyl)-1,3-thiazole-2-carboxamide
CID 18534925
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-chloro-1,3-thiazol-5-yl)thiophene-2-carboxamide
CID 70027549
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-carbamoylphenyl)thiophene-2-carboxamide
CID 18535096
N-(7-azabicyclo[2.2.1]heptan-2-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 18535502
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-thiazol-5-yl)oxy]thiophene-2-carboxamide
CID 18535055
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide
CID 18535101

Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-cyanophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-cyanophenyl)-1,3-thiazole-5-carboxamide (CID 18535116) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-cyanophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-cyanophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-cyanophenyl)-1,3-thiazole-5-carboxamide is N#Cc1ccc(-c2ncc(C(=O)NC3CC4CCC3N4)s2)cc1.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-cyanophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is WUSVKEZDADWIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c18-8-10-1-3-11(4-2-10)17-19-9-15(23-17)16(22)21-14-7-12-5-6-13(14)20-12/h1-4,9,12-14,20H,5-7H2,(H,21,22).
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-cyanophenyl)-1,3-thiazole-5-carboxamide?
N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-cyanophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-cyanophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 18535116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).