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

C16H15F2N3OS — CID 18535011

IUPACN-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CC2CCC1N2)c1cnc(-c2cc(F)ccc2F)s1
InChIInChI=1S/C16H15F2N3OS/c17-8-1-3-11(18)10(5-8)16-19-7-14(23-16)15(22)21-13-6-9-2-4-12(13)20-9/h1,3,5,7,9,12-13,20H,2,4,6H2,(H,21,22)
InChIKeyMQYGPZRJODPJEG-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.71
Rot. Bonds3

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

N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 18535011) has the molecular formula C16H15F2N3OS and a molecular weight of 335.38 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide
PubChem CID18535011
Molecular FormulaC16H15F2N3OS
Molecular Weight335.38 g/mol
Exact Mass335.09
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CC2CCC1N2)c1cnc(-c2cc(F)ccc2F)s1
InChIInChI=1S/C16H15F2N3OS/c17-8-1-3-11(18)10(5-8)16-19-7-14(23-16)15(22)21-13-6-9-2-4-12(13)20-9/h1,3,5,7,9,12-13,20H,2,4,6H2,(H,21,22)
InChIKeyMQYGPZRJODPJEG-UHFFFAOYSA-N
XLogP2.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-difluorophenyl)-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-(4-cyanophenyl)-1,3-thiazole-5-carboxamide
CID 18535116
N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 18535437
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-(4-fluorophenoxy)-1,3-thiazole-2-carboxamide
CID 18535616
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-chloro-5-fluoropyridine-2-carboxamide
CID 23598718
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-fluoropyridine-2-carboxamide
CID 22243232
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-fluoro-3-pyridinyl)-1,3-thiazole-2-carboxamide
CID 18534925
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-chloro-3-pyridinyl)thiophene-2-carboxamide
CID 18535453
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2,4-difluorophenyl)sulfanyl-1,3-oxazole-2-carboxamide
CID 18535414
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-fluorophenyl)-1,3-oxazole-2-carboxamide
CID 18535363
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

Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide (CID 18535011) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide is O=C(NC1CC2CCC1N2)c1cnc(-c2cc(F)ccc2F)s1.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is MQYGPZRJODPJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3OS/c17-8-1-3-11(18)10(5-8)16-19-7-14(23-16)15(22)21-13-6-9-2-4-12(13)20-9/h1,3,5,7,9,12-13,20H,2,4,6H2,(H,21,22).
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide?
N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-difluorophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 18535011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).