3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-N,N-dimethylbenzamide

C17H23N3OS — CID 75504863

IUPAC3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-N,N-dimethylbenzamide
SMILESCCc1cnc(C(C)NCc2cccc(C(=O)N(C)C)c2)s1
InChIInChI=1S/C17H23N3OS/c1-5-15-11-19-16(22-15)12(2)18-10-13-7-6-8-14(9-13)17(21)20(3)4/h6-9,11-12,18H,5,10H2,1-4H3
InChIKeyAQQDZWZRFKZFCC-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.26
Rot. Bonds6

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

3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-N,N-dimethylbenzamide (PubChem CID 75504863) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-N,N-dimethylbenzamide
PubChem CID75504863
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-N,N-dimethylbenzamide
SMILESCCc1cnc(C(C)NCc2cccc(C(=O)N(C)C)c2)s1
InChIInChI=1S/C17H23N3OS/c1-5-15-11-19-16(22-15)12(2)18-10-13-7-6-8-14(9-13)17(21)20(3)4/h6-9,11-12,18H,5,10H2,1-4H3
InChIKeyAQQDZWZRFKZFCC-UHFFFAOYSA-N
XLogP3.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethyl-1,3-thiazol-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 115679748
1-(5-ethyl-1,3-thiazol-2-yl)-N-(naphthalen-2-ylmethyl)ethanamine
CID 115679712
N-[(3,5-dimethylphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
CID 112696879
3-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N-dimethylbenzamide
CID 86789732
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438032
3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]benzene-1,2-diol
CID 112640133
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 112696852
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
CID 115679734
N,N-dimethyl-3-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]benzamide
CID 166209354
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 104953801

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-N,N-dimethylbenzamide (CID 75504863) is 3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-N,N-dimethylbenzamide is CCc1cnc(C(C)NCc2cccc(C(=O)N(C)C)c2)s1.
What is the InChIKey of 3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-N,N-dimethylbenzamide?
The InChIKey is AQQDZWZRFKZFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-5-15-11-19-16(22-15)12(2)18-10-13-7-6-8-14(9-13)17(21)20(3)4/h6-9,11-12,18H,5,10H2,1-4H3.
What are the key properties of 3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-N,N-dimethylbenzamide?
3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-N,N-dimethylbenzamide has a molecular weight of 317.46 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 75504863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).