2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-(dimethylamino)-N-[4-(6-ethoxypyrazin-2-yl)phenyl]acetamide

C22H26N6O3S2 — CID 155379041

IUPAC2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-(dimethylamino)-N-[4-(6-ethoxypyrazin-2-yl)phenyl]acetamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(c3csc(NS(=O)C4CC4)n3)N(C)C)cc2)n1
InChIInChI=1S/C22H26N6O3S2/c1-4-31-19-12-23-11-17(25-19)14-5-7-15(8-6-14)24-21(29)20(28(2)3)18-13-32-22(26-18)27-33(30)16-9-10-16/h5-8,11-13,16,20H,4,9-10H2,1-3H3,(H,24,29)(H,26,27)
InChIKeySGZCCEFCGYERJF-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.48
Rot. Bonds10

About 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-(dimethylamino)-N-[4-(6-ethoxypyrazin-2-yl)phenyl]acetamide

2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-(dimethylamino)-N-[4-(6-ethoxypyrazin-2-yl)phenyl]acetamide (PubChem CID 155379041) has the molecular formula C22H26N6O3S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-(dimethylamino)-N-[4-(6-ethoxypyrazin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-(dimethylamino)-N-[4-(6-ethoxypyrazin-2-yl)phenyl]acetamide
PubChem CID155379041
Molecular FormulaC22H26N6O3S2
Molecular Weight486.62 g/mol
Exact Mass486.15
IUPAC Name2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-(dimethylamino)-N-[4-(6-ethoxypyrazin-2-yl)phenyl]acetamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(c3csc(NS(=O)C4CC4)n3)N(C)C)cc2)n1
InChIInChI=1S/C22H26N6O3S2/c1-4-31-19-12-23-11-17(25-19)14-5-7-15(8-6-14)24-21(29)20(28(2)3)18-13-32-22(26-18)27-33(30)16-9-10-16/h5-8,11-13,16,20H,4,9-10H2,1-3H3,(H,24,29)(H,26,27)
InChIKeySGZCCEFCGYERJF-UHFFFAOYSA-N
XLogP3.48
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-(trifluoromethoxy)phenyl]-2-methoxyacetamide
CID 155733998
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-(6-propoxypyrazin-2-yl)phenyl]propanamide
CID 155733973
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-3-methyl-N-(4-pyrazin-2-ylphenyl)butanamide
CID 138701281
tert-butyl N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-[4-(6-ethoxypyrazin-2-yl)anilino]-2-oxoethyl]carbamate
CID 155162989
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-3-methyl-N-(4-pyrimidin-5-ylphenyl)butanamide
CID 138701131
N-[4-(6-cyanopyrazin-2-yl)phenyl]-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138701239
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]butanamide
CID 138673764
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]propanamide
CID 138701191
2-[2-(cyclopropylsulfinylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-3-methylbutanamide
CID 155733935
N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(2-methylpropylsulfanylamino)-1,3-thiazol-4-yl]propanamide
CID 138701240
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methoxyacetamide
CID 139509948
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-isocyanophenyl]-2-methoxyacetamide
CID 155760126

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-(dimethylamino)-N-[4-(6-ethoxypyrazin-2-yl)phenyl]acetamide?
The IUPAC name of 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-(dimethylamino)-N-[4-(6-ethoxypyrazin-2-yl)phenyl]acetamide (CID 155379041) is 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-(dimethylamino)-N-[4-(6-ethoxypyrazin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-(dimethylamino)-N-[4-(6-ethoxypyrazin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-(dimethylamino)-N-[4-(6-ethoxypyrazin-2-yl)phenyl]acetamide is CCOc1cncc(-c2ccc(NC(=O)C(c3csc(NS(=O)C4CC4)n3)N(C)C)cc2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-(dimethylamino)-N-[4-(6-ethoxypyrazin-2-yl)phenyl]acetamide?
The InChIKey is SGZCCEFCGYERJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3S2/c1-4-31-19-12-23-11-17(25-19)14-5-7-15(8-6-14)24-21(29)20(28(2)3)18-13-32-22(26-18)27-33(30)16-9-10-16/h5-8,11-13,16,20H,4,9-10H2,1-3H3,(H,24,29)(H,26,27).
What are the key properties of 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-(dimethylamino)-N-[4-(6-ethoxypyrazin-2-yl)phenyl]acetamide?
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-(dimethylamino)-N-[4-(6-ethoxypyrazin-2-yl)phenyl]acetamide has a molecular weight of 486.62 g/mol, XLogP of 3.48, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-(dimethylamino)-N-[4-(6-ethoxypyrazin-2-yl)phenyl]acetamide is sourced from PubChem (CID 155379041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).