N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenoxypropanamide

C16H20N2O2S — CID 110395095

IUPACN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenoxypropanamide
SMILESCc1nc(C)c(CCNC(=O)CCOc2ccccc2)s1
InChIInChI=1S/C16H20N2O2S/c1-12-15(21-13(2)18-12)8-10-17-16(19)9-11-20-14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,17,19)
InChIKeyMEXCQTHRWNTFRD-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.89
Rot. Bonds7

About N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenoxypropanamide

N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenoxypropanamide (PubChem CID 110395095) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenoxypropanamide
PubChem CID110395095
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenoxypropanamide
SMILESCc1nc(C)c(CCNC(=O)CCOc2ccccc2)s1
InChIInChI=1S/C16H20N2O2S/c1-12-15(21-13(2)18-12)8-10-17-16(19)9-11-20-14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,17,19)
InChIKeyMEXCQTHRWNTFRD-UHFFFAOYSA-N
XLogP2.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 120613102
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(3-fluorophenoxy)acetamide
CID 110718363
3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide;dihydrochloride
CID 120613101
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110678832
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentanamide
CID 110395064
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-phenoxypropanamide
CID 110717126
3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide
CID 108542327
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)propanamide
CID 110678797
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)acetamide
CID 121122800
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propylpropanamide
CID 110678784
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110678823

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenoxypropanamide (CID 110395095) is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenoxypropanamide is Cc1nc(C)c(CCNC(=O)CCOc2ccccc2)s1.
What is the InChIKey of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenoxypropanamide?
The InChIKey is MEXCQTHRWNTFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-15(21-13(2)18-12)8-10-17-16(19)9-11-20-14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenoxypropanamide?
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenoxypropanamide has a molecular weight of 304.41 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 110395095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).