[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate

C21H15N3O3S — CID 23915714

IUPAC[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C21H15N3O3S/c25-19(12-27-20(26)17-6-3-9-22-11-17)24-21-23-18(13-28-21)16-8-7-14-4-1-2-5-15(14)10-16/h1-11,13H,12H2,(H,23,24,25)
InChIKeyGCRUWOCHTNUKFN-UHFFFAOYSA-N
MW389.44 g/mol
LogP4.15
Rot. Bonds5

About [2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate

[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate (PubChem CID 23915714) has the molecular formula C21H15N3O3S and a molecular weight of 389.44 g/mol. Its IUPAC name is [2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate
PubChem CID23915714
Molecular FormulaC21H15N3O3S
Molecular Weight389.44 g/mol
Exact Mass389.08
IUPAC Name[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C21H15N3O3S/c25-19(12-27-20(26)17-6-3-9-22-11-17)24-21-23-18(13-28-21)16-8-7-14-4-1-2-5-15(14)10-16/h1-11,13H,12H2,(H,23,24,25)
InChIKeyGCRUWOCHTNUKFN-UHFFFAOYSA-N
XLogP4.15
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate with MolForge

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Related Compounds

[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] pyridine-3-carboxylate
CID 21232748
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 3647343
[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate
CID 23859857
2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3973055
2-chloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3513866
2-(4-methoxyphenoxy)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7917274
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyridine-4-carboxylate
CID 7783695
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(1,3-benzoxazol-2-yl)benzoate
CID 23802704
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-fluorobenzoate
CID 23988138
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-iodobenzoate
CID 2409334

Frequently Asked Questions

What is the IUPAC name of [2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate?
The IUPAC name of [2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate (CID 23915714) is [2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate.
What is the SMILES notation for [2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate?
The canonical SMILES for [2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate is O=C(COC(=O)c1cccnc1)Nc1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of [2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate?
The InChIKey is GCRUWOCHTNUKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3S/c25-19(12-27-20(26)17-6-3-9-22-11-17)24-21-23-18(13-28-21)16-8-7-14-4-1-2-5-15(14)10-16/h1-11,13H,12H2,(H,23,24,25).
What are the key properties of [2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate?
[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate has a molecular weight of 389.44 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate is sourced from PubChem (CID 23915714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).