N-[4-[[(5E)-5-[2-(diethylamino)ethylidene]-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide

C17H24N4O3S2 — CID 6447125

IUPACN-[4-[[(5E)-5-[2-(diethylamino)ethylidene]-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide
SMILESCCN(CC)C/C=C1\CN=C(NS(=O)(=O)c2ccc(NC(C)=O)cc2)S1
InChIInChI=1S/C17H24N4O3S2/c1-4-21(5-2)11-10-15-12-18-17(25-15)20-26(23,24)16-8-6-14(7-9-16)19-13(3)22/h6-10H,4-5,11-12H2,1-3H3,(H,18,20)(H,19,22)/b15-10+
InChIKeySFIFASQLDKUJOB-XNTDXEJSSA-N
MW396.54 g/mol
LogP2.25
Rot. Bonds7

About N-[4-[[(5E)-5-[2-(diethylamino)ethylidene]-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide

N-[4-[[(5E)-5-[2-(diethylamino)ethylidene]-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 6447125) has the molecular formula C17H24N4O3S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[4-[[(5E)-5-[2-(diethylamino)ethylidene]-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(5E)-5-[2-(diethylamino)ethylidene]-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID6447125
Molecular FormulaC17H24N4O3S2
Molecular Weight396.54 g/mol
Exact Mass396.13
IUPAC NameN-[4-[[(5E)-5-[2-(diethylamino)ethylidene]-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide
SMILESCCN(CC)C/C=C1\CN=C(NS(=O)(=O)c2ccc(NC(C)=O)cc2)S1
InChIInChI=1S/C17H24N4O3S2/c1-4-21(5-2)11-10-15-12-18-17(25-15)20-26(23,24)16-8-6-14(7-9-16)19-13(3)22/h6-10H,4-5,11-12H2,1-3H3,(H,18,20)(H,19,22)/b15-10+
InChIKeySFIFASQLDKUJOB-XNTDXEJSSA-N
XLogP2.25
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(5E)-5-[2-(diethylamino)ethylidene]-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(5E)-5-[2-(diethylamino)ethylidene]-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide (CID 6447125) is N-[4-[[(5E)-5-[2-(diethylamino)ethylidene]-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(5E)-5-[2-(diethylamino)ethylidene]-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(5E)-5-[2-(diethylamino)ethylidene]-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide is CCN(CC)C/C=C1\CN=C(NS(=O)(=O)c2ccc(NC(C)=O)cc2)S1.
What is the InChIKey of N-[4-[[(5E)-5-[2-(diethylamino)ethylidene]-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is SFIFASQLDKUJOB-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H24N4O3S2/c1-4-21(5-2)11-10-15-12-18-17(25-15)20-26(23,24)16-8-6-14(7-9-16)19-13(3)22/h6-10H,4-5,11-12H2,1-3H3,(H,18,20)(H,19,22)/b15-10+.
What are the key properties of N-[4-[[(5E)-5-[2-(diethylamino)ethylidene]-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[(5E)-5-[2-(diethylamino)ethylidene]-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 396.54 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(5E)-5-[2-(diethylamino)ethylidene]-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 6447125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).