4-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride

C19H20ClN5O2S — CID 175718304

IUPAC4-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCc1nc(-c2cnccn2)sc1C(=O)Nc1ccc([C@@H]2CNCCO2)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/t16-;/m0./s1
InChIKeyGARATXDRJXVKAS-NTISSMGPSA-N
MW417.92 g/mol
LogP3.24
Rot. Bonds4

About 4-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride

4-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride (PubChem CID 175718304) has the molecular formula C19H20ClN5O2S and a molecular weight of 417.92 g/mol. Its IUPAC name is 4-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride
PubChem CID175718304
Molecular FormulaC19H20ClN5O2S
Molecular Weight417.92 g/mol
Exact Mass417.10
IUPAC Name4-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCc1nc(-c2cnccn2)sc1C(=O)Nc1ccc([C@@H]2CNCCO2)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/t16-;/m0./s1
InChIKeyGARATXDRJXVKAS-NTISSMGPSA-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of 4-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride (CID 175718304) is 4-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 4-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for 4-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride is Cc1nc(-c2cnccn2)sc1C(=O)Nc1ccc([C@@H]2CNCCO2)cc1.Cl.
What is the InChIKey of 4-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride?
The InChIKey is GARATXDRJXVKAS-NTISSMGPSA-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/t16-;/m0./s1.
What are the key properties of 4-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride?
4-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]-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-[(2R)-morpholin-2-yl]phenyl]-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 175718304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).