3-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide

C19H21N5OS — CID 125442539

IUPAC3-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESC[C@@H](c1nccs1)N(C)C(=O)c1cccc(-c2cncc(N(C)C)n2)c1
InChIInChI=1S/C19H21N5OS/c1-13(18-21-8-9-26-18)24(4)19(25)15-7-5-6-14(10-15)16-11-20-12-17(22-16)23(2)3/h5-13H,1-4H3/t13-/m0/s1
InChIKeyDYQAUPHOMJIOAD-ZDUSSCGKSA-N
MW367.48 g/mol
LogP3.50
Rot. Bonds5

About 3-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide

3-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 125442539) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 3-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID125442539
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name3-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESC[C@@H](c1nccs1)N(C)C(=O)c1cccc(-c2cncc(N(C)C)n2)c1
InChIInChI=1S/C19H21N5OS/c1-13(18-21-8-9-26-18)24(4)19(25)15-7-5-6-14(10-15)16-11-20-12-17(22-16)23(2)3/h5-13H,1-4H3/t13-/m0/s1
InChIKeyDYQAUPHOMJIOAD-ZDUSSCGKSA-N
XLogP3.50
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3-(thiophen-2-ylmethylamino)benzamide
CID 50982275
4-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide
CID 122565737
N-methyl-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 50968047
N-methyl-2-propyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 50982712
3-amino-N-methyl-4-phenyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 99995878
3-[6-(dimethylamino)pyrazin-2-yl]-N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 125439403
3-[6-(dimethylamino)pyrazin-2-yl]-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 122555880
(2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 96555462
3-[3-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide
CID 125440550
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 25366984
[3-[6-(dimethylamino)pyrazin-2-yl]phenyl]-[(3R)-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 125435955
N-methyl-2-(4-methylphenyl)-6-oxo-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 97116459

Frequently Asked Questions

What is the IUPAC name of 3-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide (CID 125442539) is 3-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide is C[C@@H](c1nccs1)N(C)C(=O)c1cccc(-c2cncc(N(C)C)n2)c1.
What is the InChIKey of 3-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is DYQAUPHOMJIOAD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-13(18-21-8-9-26-18)24(4)19(25)15-7-5-6-14(10-15)16-11-20-12-17(22-16)23(2)3/h5-13H,1-4H3/t13-/m0/s1.
What are the key properties of 3-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide?
3-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 367.48 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 125442539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).