N-[4-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

C19H25N3O4S — CID 55896960

IUPACN-[4-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCOc1ccccc1OCCN(C)C(=O)Cc1csc(NC(=O)C(C)C)n1
InChIInChI=1S/C19H25N3O4S/c1-13(2)18(24)21-19-20-14(12-27-19)11-17(23)22(3)9-10-26-16-8-6-5-7-15(16)25-4/h5-8,12-13H,9-11H2,1-4H3,(H,20,21,24)
InChIKeyHJWZFOSETSILAL-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.83
Rot. Bonds9

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

N-[4-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 55896960) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[4-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID55896960
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[4-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCOc1ccccc1OCCN(C)C(=O)Cc1csc(NC(=O)C(C)C)n1
InChIInChI=1S/C19H25N3O4S/c1-13(2)18(24)21-19-20-14(12-27-19)11-17(23)22(3)9-10-26-16-8-6-5-7-15(16)25-4/h5-8,12-13H,9-11H2,1-4H3,(H,20,21,24)
InChIKeyHJWZFOSETSILAL-UHFFFAOYSA-N
XLogP2.83
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 55772290
N-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55775456
N-[4-[2-[bis(2-phenylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55775566
N-[4-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 47047007
N-[4-[2-[1-(3-methoxy-4-pentoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55785679
N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 108726536
3,4-dimethoxy-N-[4-[2-(N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41226185
2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid
CID 16772505
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 108745929
3-(2-methoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2522764
N-[4-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 134058671
2-amino-N-[2-(2-methoxyphenoxy)ethyl]-N-methylacetamide;hydrochloride
CID 119294047

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 55896960) is N-[4-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is COc1ccccc1OCCN(C)C(=O)Cc1csc(NC(=O)C(C)C)n1.
What is the InChIKey of N-[4-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is HJWZFOSETSILAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-13(2)18(24)21-19-20-14(12-27-19)11-17(23)22(3)9-10-26-16-8-6-5-7-15(16)25-4/h5-8,12-13H,9-11H2,1-4H3,(H,20,21,24).
What are the key properties of N-[4-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[4-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 391.49 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 55896960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).