3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide

C21H22N2O2S — CID 71795347

IUPAC3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2sc(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C21H22N2O2S/c1-15-19(26-21(23-15)17-6-4-3-5-7-17)14-22-20(24)13-10-16-8-11-18(25-2)12-9-16/h3-9,11-12H,10,13-14H2,1-2H3,(H,22,24)
InChIKeyDCTDAJKQXJFVPP-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.38
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide

3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 71795347) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID71795347
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2sc(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C21H22N2O2S/c1-15-19(26-21(23-15)17-6-4-3-5-7-17)14-22-20(24)13-10-16-8-11-18(25-2)12-9-16/h3-9,11-12H,10,13-14H2,1-2H3,(H,22,24)
InChIKeyDCTDAJKQXJFVPP-UHFFFAOYSA-N
XLogP4.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide (CID 71795347) is 3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide is COc1ccc(CCC(=O)NCc2sc(-c3ccccc3)nc2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is DCTDAJKQXJFVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-15-19(26-21(23-15)17-6-4-3-5-7-17)14-22-20(24)13-10-16-8-11-18(25-2)12-9-16/h3-9,11-12H,10,13-14H2,1-2H3,(H,22,24).
What are the key properties of 3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide?
3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 366.49 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 71795347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).