2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-1-morpholin-4-ylethanone

C16H19N3O3S — CID 28856770

IUPAC2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-1-morpholin-4-ylethanone
SMILESCc1sc(N)nc1-c1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H19N3O3S/c1-11-15(18-16(17)23-11)12-2-4-13(5-3-12)22-10-14(20)19-6-8-21-9-7-19/h2-5H,6-10H2,1H3,(H2,17,18)
InChIKeyDSJGSFTZQGYZFE-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.94
Rot. Bonds4

About 2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-1-morpholin-4-ylethanone

2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-1-morpholin-4-ylethanone (PubChem CID 28856770) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-1-morpholin-4-ylethanone
PubChem CID28856770
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-1-morpholin-4-ylethanone
SMILESCc1sc(N)nc1-c1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H19N3O3S/c1-11-15(18-16(17)23-11)12-2-4-13(5-3-12)22-10-14(20)19-6-8-21-9-7-19/h2-5H,6-10H2,1H3,(H2,17,18)
InChIKeyDSJGSFTZQGYZFE-UHFFFAOYSA-N
XLogP1.94
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone
CID 72947523
2-[2-amino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone
CID 12559825
2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide
CID 28856761
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
2-[4-(furan-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 168524915
1-morpholin-4-yl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 46266743
2-[4-(6-methyl-4-phenylquinolin-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 39860435
2-[4-[[(4,6-dimethylpyrimidin-2-yl)diazenyl]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 170920910
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide;hydrate
CID 139069446
2-[4-(ethylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 43276966

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-1-morpholin-4-ylethanone (CID 28856770) is 2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-1-morpholin-4-ylethanone is Cc1sc(N)nc1-c1ccc(OCC(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is DSJGSFTZQGYZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-11-15(18-16(17)23-11)12-2-4-13(5-3-12)22-10-14(20)19-6-8-21-9-7-19/h2-5H,6-10H2,1H3,(H2,17,18).
What are the key properties of 2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-1-morpholin-4-ylethanone?
2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 333.41 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 28856770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).