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

C20H20FN5O4S2 — CID 150842402

IUPAC2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]acetamide
SMILESCCOc1cncc(-c2ccc(NC(=O)Cc3csc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1
InChIInChI=1S/C20H20FN5O4S2/c1-2-30-19-10-22-9-17(25-19)12-3-6-16(15(21)7-12)24-18(27)8-13-11-31-20(23-13)26-32(28,29)14-4-5-14/h3,6-7,9-11,14H,2,4-5,8H2,1H3,(H,23,26)(H,24,27)
InChIKeyKOGPRSXRPSUNHH-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.22
Rot. Bonds9

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

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]acetamide (PubChem CID 150842402) has the molecular formula C20H20FN5O4S2 and a molecular weight of 477.54 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]acetamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]acetamide
PubChem CID150842402
Molecular FormulaC20H20FN5O4S2
Molecular Weight477.54 g/mol
Exact Mass477.09
IUPAC Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]acetamide
SMILESCCOc1cncc(-c2ccc(NC(=O)Cc3csc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1
InChIInChI=1S/C20H20FN5O4S2/c1-2-30-19-10-22-9-17(25-19)12-3-6-16(15(21)7-12)24-18(27)8-13-11-31-20(23-13)26-32(28,29)14-4-5-14/h3,6-7,9-11,14H,2,4-5,8H2,1H3,(H,23,26)(H,24,27)
InChIKeyKOGPRSXRPSUNHH-UHFFFAOYSA-N
XLogP3.22
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]acetamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]acetamide (CID 150842402) is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]acetamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]acetamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]acetamide is CCOc1cncc(-c2ccc(NC(=O)Cc3csc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]acetamide?
The InChIKey is KOGPRSXRPSUNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O4S2/c1-2-30-19-10-22-9-17(25-19)12-3-6-16(15(21)7-12)24-18(27)8-13-11-31-20(23-13)26-32(28,29)14-4-5-14/h3,6-7,9-11,14H,2,4-5,8H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]acetamide?
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]acetamide has a molecular weight of 477.54 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]acetamide is sourced from PubChem (CID 150842402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).