N,N-dimethyl-4-[3-oxo-3-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylamino]propyl]benzamide

C18H21N5O2S — CID 110307611

IUPACN,N-dimethyl-4-[3-oxo-3-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylamino]propyl]benzamide
SMILESCN(C)C(=O)c1ccc(CCC(=O)NCCc2csc3ncnn23)cc1
InChIInChI=1S/C18H21N5O2S/c1-22(2)17(25)14-6-3-13(4-7-14)5-8-16(24)19-10-9-15-11-26-18-20-12-21-23(15)18/h3-4,6-7,11-12H,5,8-10H2,1-2H3,(H,19,24)
InChIKeyMHQAGDLXVOOGCC-UHFFFAOYSA-N
MW371.47 g/mol
LogP1.78
Rot. Bonds7

About N,N-dimethyl-4-[3-oxo-3-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylamino]propyl]benzamide

N,N-dimethyl-4-[3-oxo-3-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylamino]propyl]benzamide (PubChem CID 110307611) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-oxo-3-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylamino]propyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-oxo-3-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylamino]propyl]benzamide
PubChem CID110307611
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN,N-dimethyl-4-[3-oxo-3-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylamino]propyl]benzamide
SMILESCN(C)C(=O)c1ccc(CCC(=O)NCCc2csc3ncnn23)cc1
InChIInChI=1S/C18H21N5O2S/c1-22(2)17(25)14-6-3-13(4-7-14)5-8-16(24)19-10-9-15-11-26-18-20-12-21-23(15)18/h3-4,6-7,11-12H,5,8-10H2,1-2H3,(H,19,24)
InChIKeyMHQAGDLXVOOGCC-UHFFFAOYSA-N
XLogP1.78
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
CID 110627728
3-(2-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
CID 110627635
3-(benzenesulfonyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
CID 110307538
4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110299989
2-methyl-3-phenyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
CID 110354295
N,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide
CID 110300026
4-[3-(3-acetamidopropylamino)-3-oxopropyl]-N,N-dimethylbenzamide
CID 110309561
4-[3-(4,4-dimethylpentylamino)-3-oxopropyl]-N,N-dimethylbenzamide
CID 110617836
4-[3-[3-(4-tert-butylphenyl)propylamino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110307736
2-cyclopentyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
CID 110354300
3-(4-methoxyphenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]propanamide
CID 110727031
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
CID 110627643

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-oxo-3-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylamino]propyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[3-oxo-3-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylamino]propyl]benzamide (CID 110307611) is N,N-dimethyl-4-[3-oxo-3-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylamino]propyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[3-oxo-3-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylamino]propyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[3-oxo-3-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylamino]propyl]benzamide is CN(C)C(=O)c1ccc(CCC(=O)NCCc2csc3ncnn23)cc1.
What is the InChIKey of N,N-dimethyl-4-[3-oxo-3-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylamino]propyl]benzamide?
The InChIKey is MHQAGDLXVOOGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-22(2)17(25)14-6-3-13(4-7-14)5-8-16(24)19-10-9-15-11-26-18-20-12-21-23(15)18/h3-4,6-7,11-12H,5,8-10H2,1-2H3,(H,19,24).
What are the key properties of N,N-dimethyl-4-[3-oxo-3-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylamino]propyl]benzamide?
N,N-dimethyl-4-[3-oxo-3-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylamino]propyl]benzamide has a molecular weight of 371.47 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-oxo-3-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethylamino]propyl]benzamide is sourced from PubChem (CID 110307611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).