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

C21H22N2O2S — CID 110409063

IUPAC3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(2-methylphenyl)methyl]propanamide
SMILESCOc1ccc(-c2csc(CCC(=O)NCc3ccccc3C)n2)cc1
InChIInChI=1S/C21H22N2O2S/c1-15-5-3-4-6-17(15)13-22-20(24)11-12-21-23-19(14-26-21)16-7-9-18(25-2)10-8-16/h3-10,14H,11-13H2,1-2H3,(H,22,24)
InChIKeyZVXYHLKVEHQVIG-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.38
Rot. Bonds7

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

3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 110409063) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(2-methylphenyl)methyl]propanamide
PubChem CID110409063
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(2-methylphenyl)methyl]propanamide
SMILESCOc1ccc(-c2csc(CCC(=O)NCc3ccccc3C)n2)cc1
InChIInChI=1S/C21H22N2O2S/c1-15-5-3-4-6-17(15)13-22-20(24)11-12-21-23-19(14-26-21)16-7-9-18(25-2)10-8-16/h3-10,14H,11-13H2,1-2H3,(H,22,24)
InChIKeyZVXYHLKVEHQVIG-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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Related Compounds

3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-propan-2-yloxyethyl)propanamide
CID 110418857
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide
CID 39071665
N-[2-(2-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110648445
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-pyridin-3-ylpropyl)propanamide
CID 110607149
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide
CID 39071719
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide
CID 110622556
N-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110650248
N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 110422465
2-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]acetamide
CID 39071753
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium
CID 7241954
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47076382
N-(3-cyanophenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 110428502

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(2-methylphenyl)methyl]propanamide (CID 110409063) is 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(2-methylphenyl)methyl]propanamide is COc1ccc(-c2csc(CCC(=O)NCc3ccccc3C)n2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is ZVXYHLKVEHQVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-15-5-3-4-6-17(15)13-22-20(24)11-12-21-23-19(14-26-21)16-7-9-18(25-2)10-8-16/h3-10,14H,11-13H2,1-2H3,(H,22,24).
What are the key properties of 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(2-methylphenyl)methyl]propanamide?
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(2-methylphenyl)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-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 110409063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).