N-methyl-N-[[2-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methyl]acetamide

C15H19N3OS — CID 115916620

IUPACN-methyl-N-[[2-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1ccccc1NC(C)c1cncs1
InChIInChI=1S/C15H19N3OS/c1-11(15-8-16-10-20-15)17-14-7-5-4-6-13(14)9-18(3)12(2)19/h4-8,10-11,17H,9H2,1-3H3
InChIKeyOJKRFZFHKHRSPI-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.29
Rot. Bonds5

About N-methyl-N-[[2-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methyl]acetamide

N-methyl-N-[[2-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methyl]acetamide (PubChem CID 115916620) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-methyl-N-[[2-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[2-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methyl]acetamide
PubChem CID115916620
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-methyl-N-[[2-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1ccccc1NC(C)c1cncs1
InChIInChI=1S/C15H19N3OS/c1-11(15-8-16-10-20-15)17-14-7-5-4-6-13(14)9-18(3)12(2)19/h4-8,10-11,17H,9H2,1-3H3
InChIKeyOJKRFZFHKHRSPI-UHFFFAOYSA-N
XLogP3.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]methyl]acetamide
CID 43692128
N-[[2-[1-(furan-2-yl)ethylamino]phenyl]methyl]-N-methylacetamide
CID 43692114
N-methyl-N-[[2-(1-thiophen-2-ylpropylamino)phenyl]methyl]acetamide
CID 43692049
N-methyl-N-[[2-(2-methylpentan-3-ylamino)phenyl]methyl]acetamide
CID 43782865
N-methyl-N-[[2-(propan-2-ylsulfonylamino)phenyl]methyl]acetamide
CID 62999124
2-methyl-N-[4-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]propanamide
CID 115917200
N-methyl-N-[[2-[[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]methyl]acetamide
CID 95311038
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide
CID 65464216
N-[1-(1,3-thiazol-5-yl)ethyl]isoquinolin-8-amine
CID 113354954
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-amino-2-methylbutanamide
CID 80543349
tert-butyl N-methyl-N-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]carbamate
CID 103818744
N-methyl-N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methyl]acetamide
CID 79537724

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[2-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methyl]acetamide (CID 115916620) is N-methyl-N-[[2-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[2-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[2-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methyl]acetamide is CC(=O)N(C)Cc1ccccc1NC(C)c1cncs1.
What is the InChIKey of N-methyl-N-[[2-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methyl]acetamide?
The InChIKey is OJKRFZFHKHRSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11(15-8-16-10-20-15)17-14-7-5-4-6-13(14)9-18(3)12(2)19/h4-8,10-11,17H,9H2,1-3H3.
What are the key properties of N-methyl-N-[[2-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methyl]acetamide?
N-methyl-N-[[2-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methyl]acetamide has a molecular weight of 289.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methyl]acetamide is sourced from PubChem (CID 115916620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).