N-[(S)-cyclobutyl-(4-methyl-2-pyridinyl)methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide

C21H23N5O2S — CID 163271720

IUPACN-[(S)-cyclobutyl-(4-methyl-2-pyridinyl)methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(-c2cnc(C(=O)N[C@H](c3cc(C)ccn3)C3CCC3)s2)n1
InChIInChI=1S/C21H23N5O2S/c1-3-28-18-12-22-10-16(25-18)17-11-24-21(29-17)20(27)26-19(14-5-4-6-14)15-9-13(2)7-8-23-15/h7-12,14,19H,3-6H2,1-2H3,(H,26,27)/t19-/m0/s1
InChIKeyXLSOXPGLDBYLCM-IBGZPJMESA-N
MW409.52 g/mol
LogP3.97
Rot. Bonds7

About N-[(S)-cyclobutyl-(4-methyl-2-pyridinyl)methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide

N-[(S)-cyclobutyl-(4-methyl-2-pyridinyl)methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (PubChem CID 163271720) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is N-[(S)-cyclobutyl-(4-methyl-2-pyridinyl)methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclobutyl-(4-methyl-2-pyridinyl)methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
PubChem CID163271720
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC NameN-[(S)-cyclobutyl-(4-methyl-2-pyridinyl)methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(-c2cnc(C(=O)N[C@H](c3cc(C)ccn3)C3CCC3)s2)n1
InChIInChI=1S/C21H23N5O2S/c1-3-28-18-12-22-10-16(25-18)17-11-24-21(29-17)20(27)26-19(14-5-4-6-14)15-9-13(2)7-8-23-15/h7-12,14,19H,3-6H2,1-2H3,(H,26,27)/t19-/m0/s1
InChIKeyXLSOXPGLDBYLCM-IBGZPJMESA-N
XLogP3.97
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(S)-cyclobutyl-(4-methyl-2-pyridinyl)methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(S)-(4-cyclopropylsulfonyl-2-pyridinyl)-(oxolan-3-yl)methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 175473974
5-(6-ethoxypyrazin-2-yl)-N-[(1R)-1-(4-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]-1,3-thiazole-2-carboxamide;methylcyclopropane;molecular hydrogen
CID 163271180
N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251008
N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-hydroxyethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251532
N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxypropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169250988
N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxyethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 163271767
N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-pyrrolidin-1-ylethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 163271184
N-[(1R)-2-(azetidin-1-yl)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 167035138
N-[(1R)-3-(cyclopropylamino)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]propyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 176871327
N-[(R)-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-[(2R)-4-methylmorpholin-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251086
N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 163271746
N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-(dimethylamino)-3-methylbutyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251294

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclobutyl-(4-methyl-2-pyridinyl)methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(S)-cyclobutyl-(4-methyl-2-pyridinyl)methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (CID 163271720) is N-[(S)-cyclobutyl-(4-methyl-2-pyridinyl)methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(S)-cyclobutyl-(4-methyl-2-pyridinyl)methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(S)-cyclobutyl-(4-methyl-2-pyridinyl)methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is CCOc1cncc(-c2cnc(C(=O)N[C@H](c3cc(C)ccn3)C3CCC3)s2)n1.
What is the InChIKey of N-[(S)-cyclobutyl-(4-methyl-2-pyridinyl)methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is XLSOXPGLDBYLCM-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-3-28-18-12-22-10-16(25-18)17-11-24-21(29-17)20(27)26-19(14-5-4-6-14)15-9-13(2)7-8-23-15/h7-12,14,19H,3-6H2,1-2H3,(H,26,27)/t19-/m0/s1.
What are the key properties of N-[(S)-cyclobutyl-(4-methyl-2-pyridinyl)methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
N-[(S)-cyclobutyl-(4-methyl-2-pyridinyl)methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 409.52 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclobutyl-(4-methyl-2-pyridinyl)methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 163271720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).