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

C21H22N2O4S — CID 8873260

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylphenoxy)propanamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)CCOc3ccccc3C)n2)c1
InChIInChI=1S/C21H22N2O4S/c1-14-6-4-5-7-18(14)27-11-10-20(24)23-21-22-17(13-28-21)16-12-15(25-2)8-9-19(16)26-3/h4-9,12-13H,10-11H2,1-3H3,(H,22,23,24)
InChIKeyHHBKNVCTAZNQBP-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.54
Rot. Bonds8

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

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylphenoxy)propanamide (PubChem CID 8873260) 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]-3-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylphenoxy)propanamide
PubChem CID8873260
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylphenoxy)propanamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)CCOc3ccccc3C)n2)c1
InChIInChI=1S/C21H22N2O4S/c1-14-6-4-5-7-18(14)27-11-10-20(24)23-21-22-17(13-28-21)16-12-15(25-2)8-9-19(16)26-3/h4-9,12-13H,10-11H2,1-3H3,(H,22,23,24)
InChIKeyHHBKNVCTAZNQBP-UHFFFAOYSA-N
XLogP4.54
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
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

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2531414
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylpropoxy)propanamide
CID 38961150
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 37010082
N-[3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46589382
3-cyclopentyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 8873226
3-(2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 9361604
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 39218983
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylindol-1-yl)acetamide
CID 26706118
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24555291

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylphenoxy)propanamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylphenoxy)propanamide (CID 8873260) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylphenoxy)propanamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylphenoxy)propanamide is COc1ccc(OC)c(-c2csc(NC(=O)CCOc3ccccc3C)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylphenoxy)propanamide?
The InChIKey is HHBKNVCTAZNQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-14-6-4-5-7-18(14)27-11-10-20(24)23-21-22-17(13-28-21)16-12-15(25-2)8-9-19(16)26-3/h4-9,12-13H,10-11H2,1-3H3,(H,22,23,24).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylphenoxy)propanamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylphenoxy)propanamide has a molecular weight of 398.48 g/mol, XLogP of 4.54, 8 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]-3-(2-methylphenoxy)propanamide is sourced from PubChem (CID 8873260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).