2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenoxy]acetamide

C15H19N3O2S — CID 63091960

IUPAC2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenoxy]acetamide
SMILESCc1csc(C(C)NCc2ccc(OCC(N)=O)cc2)n1
InChIInChI=1S/C15H19N3O2S/c1-10-9-21-15(18-10)11(2)17-7-12-3-5-13(6-4-12)20-8-14(16)19/h3-6,9,11,17H,7-8H2,1-2H3,(H2,16,19)
InChIKeyUBAMFNXIZARUSM-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.17
Rot. Bonds7

About 2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenoxy]acetamide

2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenoxy]acetamide (PubChem CID 63091960) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenoxy]acetamide
PubChem CID63091960
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenoxy]acetamide
SMILESCc1csc(C(C)NCc2ccc(OCC(N)=O)cc2)n1
InChIInChI=1S/C15H19N3O2S/c1-10-9-21-15(18-10)11(2)17-7-12-3-5-13(6-4-12)20-8-14(16)19/h3-6,9,11,17H,7-8H2,1-2H3,(H2,16,19)
InChIKeyUBAMFNXIZARUSM-UHFFFAOYSA-N
XLogP2.17
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1-thiophen-3-ylethylamino)methyl]phenoxy]acetamide
CID 62840445
2-[4-[(1-pyridin-4-ylethylamino)methyl]phenoxy]acetamide
CID 43181000
4-(2-amino-2-oxoethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 119121657
(2S)-2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]propanamide
CID 39756608
2-methoxy-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 63090176
N-[(3,4-dibromophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115693156
N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63096278
methyl 5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]-1H-pyrrole-2-carboxylate
CID 79416470
N-(furan-3-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091781
2-[4-[(heptan-2-ylamino)methyl]phenoxy]acetamide
CID 43401602
5-methoxy-2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 63089655
2-(2-methoxyethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 103642136

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenoxy]acetamide (CID 63091960) is 2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenoxy]acetamide is Cc1csc(C(C)NCc2ccc(OCC(N)=O)cc2)n1.
What is the InChIKey of 2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenoxy]acetamide?
The InChIKey is UBAMFNXIZARUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-9-21-15(18-10)11(2)17-7-12-3-5-13(6-4-12)20-8-14(16)19/h3-6,9,11,17H,7-8H2,1-2H3,(H2,16,19).
What are the key properties of 2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenoxy]acetamide?
2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenoxy]acetamide has a molecular weight of 305.40 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenoxy]acetamide is sourced from PubChem (CID 63091960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).