N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide

C21H22N2O4S — CID 42994672

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)C(C)Oc3ccc(C)cc3)n2)c1
InChIInChI=1S/C21H22N2O4S/c1-13-5-7-15(8-6-13)27-14(2)20(24)23-21-22-18(12-28-21)17-11-16(25-3)9-10-19(17)26-4/h5-12,14H,1-4H3,(H,22,23,24)
InChIKeyAGJMIZIAPZYSQT-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.54
Rot. Bonds7

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide (PubChem CID 42994672) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
PubChem CID42994672
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)C(C)Oc3ccc(C)cc3)n2)c1
InChIInChI=1S/C21H22N2O4S/c1-13-5-7-15(8-6-13)27-14(2)20(24)23-21-22-18(12-28-21)17-11-16(25-3)9-10-19(17)26-4/h5-12,14H,1-4H3,(H,22,23,24)
InChIKeyAGJMIZIAPZYSQT-UHFFFAOYSA-N
XLogP4.54
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxypropanamide
CID 94816049
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxypropanamide
CID 48847769
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119679949
(2S)-2-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,3-dimethylbutanamide
CID 119679944
(2S)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide
CID 51583896
(2R)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxybutanamide
CID 8873084
methyl N-[1-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 47991752
(2R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 51859086
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 7254533
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 55895475
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylpropoxy)propanamide
CID 38961150

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide (CID 42994672) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide is COc1ccc(OC)c(-c2csc(NC(=O)C(C)Oc3ccc(C)cc3)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide?
The InChIKey is AGJMIZIAPZYSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-13-5-7-15(8-6-13)27-14(2)20(24)23-21-22-18(12-28-21)17-11-16(25-3)9-10-19(17)26-4/h5-12,14H,1-4H3,(H,22,23,24).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide has a molecular weight of 398.48 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 42994672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).