N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C19H17N3OS — CID 166222792

IUPACN-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESO=C(NCCc1nc(-c2ccncc2)cs1)C1Cc2ccccc21
InChIInChI=1S/C19H17N3OS/c23-19(16-11-14-3-1-2-4-15(14)16)21-10-7-18-22-17(12-24-18)13-5-8-20-9-6-13/h1-6,8-9,12,16H,7,10-11H2,(H,21,23)
InChIKeyUCZONFBYPJBQPB-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.20
Rot. Bonds5

About N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 166222792) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID166222792
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC NameN-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESO=C(NCCc1nc(-c2ccncc2)cs1)C1Cc2ccccc21
InChIInChI=1S/C19H17N3OS/c23-19(16-11-14-3-1-2-4-15(14)16)21-10-7-18-22-17(12-24-18)13-5-8-20-9-6-13/h1-6,8-9,12,16H,7,10-11H2,(H,21,23)
InChIKeyUCZONFBYPJBQPB-UHFFFAOYSA-N
XLogP3.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide with MolForge

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Related Compounds

2-[2-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66395318
1-phenyl-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317790
6-chloro-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 166212443
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide
CID 110317818
(2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119874734
ethyl 2-oxo-2-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylamino]acetate
CID 110317808
(3S)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
CID 124758437
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 110317749
N-[3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylamino]propyl]acetamide
CID 82103538
N-(2-chloroethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396131
(5S)-3-benzyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 26343681

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 166222792) is N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is O=C(NCCc1nc(-c2ccncc2)cs1)C1Cc2ccccc21.
What is the InChIKey of N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is UCZONFBYPJBQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c23-19(16-11-14-3-1-2-4-15(14)16)21-10-7-18-22-17(12-24-18)13-5-8-20-9-6-13/h1-6,8-9,12,16H,7,10-11H2,(H,21,23).
What are the key properties of N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 166222792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).