N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide

C16H20N2O2S — CID 110317372

IUPACN-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide
SMILESCOc1ccccc1-c1nc(CCNC(=O)C(C)C)cs1
InChIInChI=1S/C16H20N2O2S/c1-11(2)15(19)17-9-8-12-10-21-16(18-12)13-6-4-5-7-14(13)20-3/h4-7,10-11H,8-9H2,1-3H3,(H,17,19)
InChIKeyAGHLGVIMGBHTSU-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.13
Rot. Bonds6

About N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide

N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide (PubChem CID 110317372) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide
PubChem CID110317372
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide
SMILESCOc1ccccc1-c1nc(CCNC(=O)C(C)C)cs1
InChIInChI=1S/C16H20N2O2S/c1-11(2)15(19)17-9-8-12-10-21-16(18-12)13-6-4-5-7-14(13)20-3/h4-7,10-11H,8-9H2,1-3H3,(H,17,19)
InChIKeyAGHLGVIMGBHTSU-UHFFFAOYSA-N
XLogP3.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide
CID 110317395
N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 110317408
4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole
CID 82094625
N-cyclopropyl-3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333079
ethyl 2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 15336769
N-[2-(2-methoxyphenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329884
2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108737460
N-[(1R)-2-hydroxy-1-phenylethyl]-2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 51824517
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 16596855
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 16591047
N-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329998
methyl 2-[3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 110333154

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide (CID 110317372) is N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide is COc1ccccc1-c1nc(CCNC(=O)C(C)C)cs1.
What is the InChIKey of N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide?
The InChIKey is AGHLGVIMGBHTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11(2)15(19)17-9-8-12-10-21-16(18-12)13-6-4-5-7-14(13)20-3/h4-7,10-11H,8-9H2,1-3H3,(H,17,19).
What are the key properties of N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide?
N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide has a molecular weight of 304.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 110317372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).