ethyl 2-[[naphthalene-2-carbonyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate

C21H22N2O3S — CID 7350511

IUPACethyl 2-[[naphthalene-2-carbonyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCCN(Cc1nc(C(=O)OCC)cs1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H22N2O3S/c1-3-11-23(13-19-22-18(14-27-19)21(25)26-4-2)20(24)17-10-9-15-7-5-6-8-16(15)12-17/h5-10,12,14H,3-4,11,13H2,1-2H3
InChIKeyCUWMCOGUBSJPDF-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.53
Rot. Bonds7

About ethyl 2-[[naphthalene-2-carbonyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate

ethyl 2-[[naphthalene-2-carbonyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate (PubChem CID 7350511) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is ethyl 2-[[naphthalene-2-carbonyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[naphthalene-2-carbonyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
PubChem CID7350511
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Nameethyl 2-[[naphthalene-2-carbonyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCCN(Cc1nc(C(=O)OCC)cs1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H22N2O3S/c1-3-11-23(13-19-22-18(14-27-19)21(25)26-4-2)20(24)17-10-9-15-7-5-6-8-16(15)12-17/h5-10,12,14H,3-4,11,13H2,1-2H3
InChIKeyCUWMCOGUBSJPDF-UHFFFAOYSA-N
XLogP4.53
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[naphthalene-2-carbonyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[naphthalene-2-carbonyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate (CID 7350511) is ethyl 2-[[naphthalene-2-carbonyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[naphthalene-2-carbonyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[naphthalene-2-carbonyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate is CCCN(Cc1nc(C(=O)OCC)cs1)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of ethyl 2-[[naphthalene-2-carbonyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is CUWMCOGUBSJPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-3-11-23(13-19-22-18(14-27-19)21(25)26-4-2)20(24)17-10-9-15-7-5-6-8-16(15)12-17/h5-10,12,14H,3-4,11,13H2,1-2H3.
What are the key properties of ethyl 2-[[naphthalene-2-carbonyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate?
ethyl 2-[[naphthalene-2-carbonyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 382.49 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[naphthalene-2-carbonyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 7350511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).