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

C21H22N2O2S — CID 35541456

IUPACN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C21H22N2O2S/c1-2-14-25-19-11-7-6-10-18(19)20(24)22-13-12-17-15-26-21(23-17)16-8-4-3-5-9-16/h3-11,15H,2,12-14H2,1H3,(H,22,24)
InChIKeyQPRNRKJTVLDLML-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.57
Rot. Bonds8

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

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-propoxybenzamide (PubChem CID 35541456) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-propoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-propoxybenzamide
PubChem CID35541456
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C21H22N2O2S/c1-2-14-25-19-11-7-6-10-18(19)20(24)22-13-12-17-15-26-21(23-17)16-8-4-3-5-9-16/h3-11,15H,2,12-14H2,1H3,(H,22,24)
InChIKeyQPRNRKJTVLDLML-UHFFFAOYSA-N
XLogP4.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35574090
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-ethoxybenzamide
CID 7518325
2-ethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7119214
2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35344742
2-hydroxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 162665630
3-chloro-2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 146152213
2-propoxy-N-propylbenzamide
CID 58831728
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-4-propoxybenzamide
CID 35341843
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-phenoxybenzamide
CID 91769969
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 5310230
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
N-(2-methoxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110332864

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-propoxybenzamide?
The IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-propoxybenzamide (CID 35541456) is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-propoxybenzamide.
What is the SMILES notation for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-propoxybenzamide?
The canonical SMILES for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-propoxybenzamide is CCCOc1ccccc1C(=O)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-propoxybenzamide?
The InChIKey is QPRNRKJTVLDLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-2-14-25-19-11-7-6-10-18(19)20(24)22-13-12-17-15-26-21(23-17)16-8-4-3-5-9-16/h3-11,15H,2,12-14H2,1H3,(H,22,24).
What are the key properties of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-propoxybenzamide?
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-propoxybenzamide has a molecular weight of 366.49 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-propoxybenzamide is sourced from PubChem (CID 35541456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).