N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-propoxybenzamide

C21H22N2O2S — CID 4284156

IUPACN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(CC)s2)cc1
InChIInChI=1S/C21H22N2O2S/c1-3-14-25-17-12-10-16(11-13-17)20(24)23-21-22-19(18(4-2)26-21)15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3,(H,22,23,24)
InChIKeySMFAAOWRCSZHLJ-UHFFFAOYSA-N
MW366.49 g/mol
LogP5.41
Rot. Bonds7

About N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-propoxybenzamide

N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-propoxybenzamide (PubChem CID 4284156) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-propoxybenzamide.

Molecular Properties

Compound NameN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-propoxybenzamide
PubChem CID4284156
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(CC)s2)cc1
InChIInChI=1S/C21H22N2O2S/c1-3-14-25-17-12-10-16(11-13-17)20(24)23-21-22-19(18(4-2)26-21)15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3,(H,22,23,24)
InChIKeySMFAAOWRCSZHLJ-UHFFFAOYSA-N
XLogP5.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.49
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-propoxybenzamide?
The IUPAC name of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-propoxybenzamide (CID 4284156) is N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-propoxybenzamide.
What is the SMILES notation for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-propoxybenzamide?
The canonical SMILES for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(CC)s2)cc1.
What is the InChIKey of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-propoxybenzamide?
The InChIKey is SMFAAOWRCSZHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-3-14-25-17-12-10-16(11-13-17)20(24)23-21-22-19(18(4-2)26-21)15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3,(H,22,23,24).
What are the key properties of N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-propoxybenzamide?
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-propoxybenzamide has a molecular weight of 366.49 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-propoxybenzamide is sourced from PubChem (CID 4284156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).