3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-ethylbenzamide

C16H21N3OS — CID 63751777

IUPAC3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(C)c2sc(C)nc2C)c1
InChIInChI=1S/C16H21N3OS/c1-5-17-16(20)13-7-6-8-14(9-13)19-11(3)15-10(2)18-12(4)21-15/h6-9,11,19H,5H2,1-4H3,(H,17,20)
InChIKeyRPWRZENMUANLOU-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.68
Rot. Bonds5

About 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-ethylbenzamide

3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-ethylbenzamide (PubChem CID 63751777) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-ethylbenzamide
PubChem CID63751777
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(C)c2sc(C)nc2C)c1
InChIInChI=1S/C16H21N3OS/c1-5-17-16(20)13-7-6-8-14(9-13)19-11(3)15-10(2)18-12(4)21-15/h6-9,11,19H,5H2,1-4H3,(H,17,20)
InChIKeyRPWRZENMUANLOU-UHFFFAOYSA-N
XLogP3.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzamide
CID 43680749
3-butan-2-yloxy-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63753113
N-ethyl-3-(1-thiophen-3-ylethylamino)benzamide
CID 55032381
N-ethyl-3-[1-(3-hydroxyphenyl)ethylamino]benzamide
CID 43680770
3-[1-(4-bromothiophen-2-yl)ethylamino]-N-ethylbenzamide
CID 107167773
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(propanoylamino)benzamide
CID 95614599
N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(R)-methylsulfinyl]methyl]benzamide
CID 95296656
3,4-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63751888
N-ethyl-3-(2-methylpropylamino)benzamide
CID 43680721
N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen
CID 155749287
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinolin-6-amine
CID 63753119
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51966657

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-ethylbenzamide?
The IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-ethylbenzamide (CID 63751777) is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-ethylbenzamide.
What is the SMILES notation for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-ethylbenzamide?
The canonical SMILES for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(C)c2sc(C)nc2C)c1.
What is the InChIKey of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-ethylbenzamide?
The InChIKey is RPWRZENMUANLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-5-17-16(20)13-7-6-8-14(9-13)19-11(3)15-10(2)18-12(4)21-15/h6-9,11,19H,5H2,1-4H3,(H,17,20).
What are the key properties of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-ethylbenzamide?
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-ethylbenzamide has a molecular weight of 303.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-ethylbenzamide is sourced from PubChem (CID 63751777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).