N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(2-methylpropylsulfanylamino)-1,3-thiazol-4-yl]propanamide

C23H29N5O2S2 — CID 138701240

IUPACN-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(2-methylpropylsulfanylamino)-1,3-thiazol-4-yl]propanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(NSCC(C)C)n3)cc2)n1
InChIInChI=1S/C23H29N5O2S2/c1-6-30-20-12-24-11-18(26-20)16-7-9-17(10-8-16)25-21(29)23(4,5)19-14-31-22(27-19)28-32-13-15(2)3/h7-12,14-15H,6,13H2,1-5H3,(H,25,29)(H,27,28)
InChIKeyREGGDJNPLDFNFM-UHFFFAOYSA-N
MW471.65 g/mol
LogP5.63
Rot. Bonds10

About N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(2-methylpropylsulfanylamino)-1,3-thiazol-4-yl]propanamide

N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(2-methylpropylsulfanylamino)-1,3-thiazol-4-yl]propanamide (PubChem CID 138701240) has the molecular formula C23H29N5O2S2 and a molecular weight of 471.65 g/mol. Its IUPAC name is N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(2-methylpropylsulfanylamino)-1,3-thiazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(2-methylpropylsulfanylamino)-1,3-thiazol-4-yl]propanamide
PubChem CID138701240
Molecular FormulaC23H29N5O2S2
Molecular Weight471.65 g/mol
Exact Mass471.18
IUPAC NameN-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(2-methylpropylsulfanylamino)-1,3-thiazol-4-yl]propanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(NSCC(C)C)n3)cc2)n1
InChIInChI=1S/C23H29N5O2S2/c1-6-30-20-12-24-11-18(26-20)16-7-9-17(10-8-16)25-21(29)23(4,5)19-14-31-22(27-19)28-32-13-15(2)3/h7-12,14-15H,6,13H2,1-5H3,(H,25,29)(H,27,28)
InChIKeyREGGDJNPLDFNFM-UHFFFAOYSA-N
XLogP5.63
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-(6-propoxypyrazin-2-yl)phenyl]propanamide
CID 155733973
N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide
CID 139503550
2-[2-(cyclobutylsulfanylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139515540
2-[2-(ethylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide;molecular hydrogen
CID 155733994
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-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 138673682
N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-[2-(ethylsulfanylamino)pyrimidin-4-yl]-2-methylpropanamide
CID 139515541
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-(dimethylamino)-N-[4-(6-ethoxypyrazin-2-yl)phenyl]acetamide
CID 155379041
N-[4-(6-cyanopyrazin-2-yl)phenyl]-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138701239
tert-butyl N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-[4-(6-ethoxypyrazin-2-yl)anilino]-2-oxoethyl]carbamate
CID 155162989
6-[4-[[2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoyl]amino]phenyl]-N,N-dimethylpyrazine-2-carboxamide
CID 138673878
1-[4-(6-ethoxypyrazin-2-yl)phenyl]-3-[2-(ethylsulfonylmethyl)pyrimidin-4-yl]-3-methylbutan-2-one
CID 162177016

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(2-methylpropylsulfanylamino)-1,3-thiazol-4-yl]propanamide?
The IUPAC name of N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(2-methylpropylsulfanylamino)-1,3-thiazol-4-yl]propanamide (CID 138701240) is N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(2-methylpropylsulfanylamino)-1,3-thiazol-4-yl]propanamide.
What is the SMILES notation for N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(2-methylpropylsulfanylamino)-1,3-thiazol-4-yl]propanamide?
The canonical SMILES for N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(2-methylpropylsulfanylamino)-1,3-thiazol-4-yl]propanamide is CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(NSCC(C)C)n3)cc2)n1.
What is the InChIKey of N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(2-methylpropylsulfanylamino)-1,3-thiazol-4-yl]propanamide?
The InChIKey is REGGDJNPLDFNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2S2/c1-6-30-20-12-24-11-18(26-20)16-7-9-17(10-8-16)25-21(29)23(4,5)19-14-31-22(27-19)28-32-13-15(2)3/h7-12,14-15H,6,13H2,1-5H3,(H,25,29)(H,27,28).
What are the key properties of N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(2-methylpropylsulfanylamino)-1,3-thiazol-4-yl]propanamide?
N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(2-methylpropylsulfanylamino)-1,3-thiazol-4-yl]propanamide has a molecular weight of 471.65 g/mol, XLogP of 5.63, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(2-methylpropylsulfanylamino)-1,3-thiazol-4-yl]propanamide is sourced from PubChem (CID 138701240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).