N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-fluoro-3-pyridinyl)-1,3-thiazole-2-carboxamide

C15H15FN4OS — CID 18534925

IUPACN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-fluoro-3-pyridinyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CC2CCC1N2)c1ncc(-c2ccc(F)nc2)s1
InChIInChI=1S/C15H15FN4OS/c16-13-4-1-8(6-17-13)12-7-18-15(22-12)14(21)20-11-5-9-2-3-10(11)19-9/h1,4,6-7,9-11,19H,2-3,5H2,(H,20,21)
InChIKeyCCSUTQWORYXLJO-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.97
Rot. Bonds3

About N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-fluoro-3-pyridinyl)-1,3-thiazole-2-carboxamide

N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-fluoro-3-pyridinyl)-1,3-thiazole-2-carboxamide (PubChem CID 18534925) has the molecular formula C15H15FN4OS and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-fluoro-3-pyridinyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-fluoro-3-pyridinyl)-1,3-thiazole-2-carboxamide
PubChem CID18534925
Molecular FormulaC15H15FN4OS
Molecular Weight318.38 g/mol
Exact Mass318.10
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-fluoro-3-pyridinyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CC2CCC1N2)c1ncc(-c2ccc(F)nc2)s1
InChIInChI=1S/C15H15FN4OS/c16-13-4-1-8(6-17-13)12-7-18-15(22-12)14(21)20-11-5-9-2-3-10(11)19-9/h1,4,6-7,9-11,19H,2-3,5H2,(H,20,21)
InChIKeyCCSUTQWORYXLJO-UHFFFAOYSA-N
XLogP1.97
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-fluoro-3-pyridinyl)-1,3-thiazole-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-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(3-bromophenyl)-1,3-thiazole-2-carboxamide
CID 70027522
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-fluorophenoxy)-1,3-thiazole-2-carboxamide
CID 18535616
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-(2-chloro-1,3-thiazol-5-yl)thiophene-2-carboxamide
CID 70027549
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-methoxyphenyl)sulfanyl-1,3-thiazole-2-carboxamide
CID 70027553
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-(3-fluorophenyl)-1,3-oxazole-2-carboxamide
CID 18535363
N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-cyanophenyl)-1,3-thiazole-5-carboxamide
CID 18535116
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-[(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-(3,5-difluorophenyl)-1,3-oxazole-2-carboxamide
CID 18535009

Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-fluoro-3-pyridinyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-fluoro-3-pyridinyl)-1,3-thiazole-2-carboxamide (CID 18534925) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-fluoro-3-pyridinyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-fluoro-3-pyridinyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-fluoro-3-pyridinyl)-1,3-thiazole-2-carboxamide is O=C(NC1CC2CCC1N2)c1ncc(-c2ccc(F)nc2)s1.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-fluoro-3-pyridinyl)-1,3-thiazole-2-carboxamide?
The InChIKey is CCSUTQWORYXLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4OS/c16-13-4-1-8(6-17-13)12-7-18-15(22-12)14(21)20-11-5-9-2-3-10(11)19-9/h1,4,6-7,9-11,19H,2-3,5H2,(H,20,21).
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-fluoro-3-pyridinyl)-1,3-thiazole-2-carboxamide?
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-fluoro-3-pyridinyl)-1,3-thiazole-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 1.97, 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)-5-(6-fluoro-3-pyridinyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 18534925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).