2-[4-[2-[[2-methoxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]-N-methylacetamide

C19H27N3O3S — CID 19974161

IUPAC2-[4-[2-[[2-methoxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(CC(C)NCC(OC)c2csc(C)n2)cc1
InChIInChI=1S/C19H27N3O3S/c1-13(21-10-18(24-4)17-12-26-14(2)22-17)9-15-5-7-16(8-6-15)25-11-19(23)20-3/h5-8,12-13,18,21H,9-11H2,1-4H3,(H,20,23)
InChIKeyYUDRCQBDKLRGKE-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.48
Rot. Bonds10

About 2-[4-[2-[[2-methoxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]-N-methylacetamide

2-[4-[2-[[2-methoxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]-N-methylacetamide (PubChem CID 19974161) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-[4-[2-[[2-methoxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[2-[[2-methoxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]-N-methylacetamide
PubChem CID19974161
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name2-[4-[2-[[2-methoxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(CC(C)NCC(OC)c2csc(C)n2)cc1
InChIInChI=1S/C19H27N3O3S/c1-13(21-10-18(24-4)17-12-26-14(2)22-17)9-15-5-7-16(8-6-15)25-11-19(23)20-3/h5-8,12-13,18,21H,9-11H2,1-4H3,(H,20,23)
InChIKeyYUDRCQBDKLRGKE-UHFFFAOYSA-N
XLogP2.48
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-[[2-methoxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]-N-methylacetamide with MolForge

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Related Compounds

methyl 2-[4-[2-[[2-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetate
CID 19974122
2-[4-[2-[(2-hydroxy-2-phenylpropyl)amino]propyl]phenoxy]-N-methylacetamide
CID 57018327
2-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 108737207
methyl 2-[4-[2-[[2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]ethyl]phenoxy]acetate
CID 19974177
methyl 2-[4-[2-[[2-(2-hydroxyethoxy)-2-(2,4,5-trifluoro-3-methylphenyl)ethyl]amino]propyl]phenoxy]acetate
CID 88670825
methyl 2-[4-[2-[[2-hydroxy-2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]acetate
CID 19974348
methyl 2-[4-[2-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]acetate
CID 19974207
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
N-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123257
2-[1-[4-(2-hydroxyethoxy)phenyl]propan-2-ylamino]-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol
CID 19974156
ethane;2-hydroxy-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]propanoic acid
CID 142975502
2-(4-methoxyphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 23612988

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[2-methoxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-[2-[[2-methoxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]-N-methylacetamide (CID 19974161) is 2-[4-[2-[[2-methoxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-[2-[[2-methoxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-[2-[[2-methoxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]-N-methylacetamide is CNC(=O)COc1ccc(CC(C)NCC(OC)c2csc(C)n2)cc1.
What is the InChIKey of 2-[4-[2-[[2-methoxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]-N-methylacetamide?
The InChIKey is YUDRCQBDKLRGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-13(21-10-18(24-4)17-12-26-14(2)22-17)9-15-5-7-16(8-6-15)25-11-19(23)20-3/h5-8,12-13,18,21H,9-11H2,1-4H3,(H,20,23).
What are the key properties of 2-[4-[2-[[2-methoxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]-N-methylacetamide?
2-[4-[2-[[2-methoxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]-N-methylacetamide has a molecular weight of 377.51 g/mol, XLogP of 2.48, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[2-methoxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 19974161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).