2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide

C23H26FN5O4S2 — CID 151568127

IUPAC2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(NS(=O)(=O)CC4CC4)n3)c(F)c2)n1
InChIInChI=1S/C23H26FN5O4S2/c1-4-33-20-11-25-10-18(26-20)15-7-8-17(16(24)9-15)27-21(30)23(2,3)19-12-34-22(28-19)29-35(31,32)13-14-5-6-14/h7-12,14H,4-6,13H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyQDVXBPCPOHALKN-UHFFFAOYSA-N
MW519.62 g/mol
LogP4.21
Rot. Bonds10

About 2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide

2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide (PubChem CID 151568127) has the molecular formula C23H26FN5O4S2 and a molecular weight of 519.62 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide
PubChem CID151568127
Molecular FormulaC23H26FN5O4S2
Molecular Weight519.62 g/mol
Exact Mass519.14
IUPAC Name2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(NS(=O)(=O)CC4CC4)n3)c(F)c2)n1
InChIInChI=1S/C23H26FN5O4S2/c1-4-33-20-11-25-10-18(26-20)15-7-8-17(16(24)9-15)27-21(30)23(2,3)19-12-34-22(28-19)29-35(31,32)13-14-5-6-14/h7-12,14H,4-6,13H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyQDVXBPCPOHALKN-UHFFFAOYSA-N
XLogP4.21
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.62
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide?
The IUPAC name of 2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide (CID 151568127) is 2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide.
What is the SMILES notation for 2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide?
The canonical SMILES for 2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide is CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(NS(=O)(=O)CC4CC4)n3)c(F)c2)n1.
What is the InChIKey of 2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide?
The InChIKey is QDVXBPCPOHALKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O4S2/c1-4-33-20-11-25-10-18(26-20)15-7-8-17(16(24)9-15)27-21(30)23(2,3)19-12-34-22(28-19)29-35(31,32)13-14-5-6-14/h7-12,14H,4-6,13H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of 2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide?
2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide has a molecular weight of 519.62 g/mol, XLogP of 4.21, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-methylpropanamide is sourced from PubChem (CID 151568127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).