4-methyl-N-(4-morpholin-2-ylphenyl)-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride

C19H20ClN5O2S — CID 67239406

IUPAC4-methyl-N-(4-morpholin-2-ylphenyl)-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCc1nc(-c2cnccn2)sc1C(=O)Nc1ccc(C2CNCCO2)cc1.Cl
InChIInChI=1S/C19H19N5O2S.ClH/c1-12-17(27-19(23-12)15-10-20-6-7-22-15)18(25)24-14-4-2-13(3-5-14)16-11-21-8-9-26-16;/h2-7,10,16,21H,8-9,11H2,1H3,(H,24,25);1H
InChIKeyGARATXDRJXVKAS-UHFFFAOYSA-N
MW417.92 g/mol
LogP3.24
Rot. Bonds4

About 4-methyl-N-(4-morpholin-2-ylphenyl)-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride

4-methyl-N-(4-morpholin-2-ylphenyl)-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride (PubChem CID 67239406) has the molecular formula C19H20ClN5O2S and a molecular weight of 417.92 g/mol. Its IUPAC name is 4-methyl-N-(4-morpholin-2-ylphenyl)-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-(4-morpholin-2-ylphenyl)-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride
PubChem CID67239406
Molecular FormulaC19H20ClN5O2S
Molecular Weight417.92 g/mol
Exact Mass417.10
IUPAC Name4-methyl-N-(4-morpholin-2-ylphenyl)-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCc1nc(-c2cnccn2)sc1C(=O)Nc1ccc(C2CNCCO2)cc1.Cl
InChIInChI=1S/C19H19N5O2S.ClH/c1-12-17(27-19(23-12)15-10-20-6-7-22-15)18(25)24-14-4-2-13(3-5-14)16-11-21-8-9-26-16;/h2-7,10,16,21H,8-9,11H2,1H3,(H,24,25);1H
InChIKeyGARATXDRJXVKAS-UHFFFAOYSA-N
XLogP3.24
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 6-oxo-2-(phenylmethoxymethyl)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate
CID 10366345
N-(4-morpholin-2-ylphenyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 67238911
N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 67239122
4-methyl-N-(4-morpholin-2-ylphenyl)-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide
CID 67239407
2-(1-methylpyrazol-4-yl)-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 67240408
US10265307, Example 17
CID 90279407
US10508107, Example 6
CID 124566252
Ethyl 2-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]benzoate
CID 25582978
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxomorpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 71693395
2-(6-Benzyloxy-pyrazin-2-yl)-4-methyl-thiazole-5-carboxylic acid 4-fluoro-benzylamide
CID 24955767
5-amino-N-[4-(3-aminopiperidin-1-yl)-7-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 90279170
5-amino-N-[(7S)-4-[(3S)-3-aminopiperidin-1-yl]-7-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 90279261

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-morpholin-2-ylphenyl)-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of 4-methyl-N-(4-morpholin-2-ylphenyl)-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride (CID 67239406) is 4-methyl-N-(4-morpholin-2-ylphenyl)-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 4-methyl-N-(4-morpholin-2-ylphenyl)-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for 4-methyl-N-(4-morpholin-2-ylphenyl)-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride is Cc1nc(-c2cnccn2)sc1C(=O)Nc1ccc(C2CNCCO2)cc1.Cl.
What is the InChIKey of 4-methyl-N-(4-morpholin-2-ylphenyl)-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride?
The InChIKey is GARATXDRJXVKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S.ClH/c1-12-17(27-19(23-12)15-10-20-6-7-22-15)18(25)24-14-4-2-13(3-5-14)16-11-21-8-9-26-16;/h2-7,10,16,21H,8-9,11H2,1H3,(H,24,25);1H.
What are the key properties of 4-methyl-N-(4-morpholin-2-ylphenyl)-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride?
4-methyl-N-(4-morpholin-2-ylphenyl)-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride has a molecular weight of 417.92 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-morpholin-2-ylphenyl)-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 67239406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).