N-[4-[[(5E)-5-(2-pyrrolidin-1-ylethylidene)-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride

C17H23ClN4O3S2 — CID 6447126

IUPACN-[4-[[(5E)-5-(2-pyrrolidin-1-ylethylidene)-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2=NC/C(=C\CN3CCCC3)S2)cc1.Cl
InChIInChI=1S/C17H22N4O3S2.ClH/c1-13(22)19-14-4-6-16(7-5-14)26(23,24)20-17-18-12-15(25-17)8-11-21-9-2-3-10-21;/h4-8H,2-3,9-12H2,1H3,(H,18,20)(H,19,22);1H/b15-8+;
InChIKeyCFXNXOWCBQGNIM-TWNLEINFSA-N
MW430.98 g/mol
LogP2.43
Rot. Bonds5

About N-[4-[[(5E)-5-(2-pyrrolidin-1-ylethylidene)-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride

N-[4-[[(5E)-5-(2-pyrrolidin-1-ylethylidene)-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride (PubChem CID 6447126) has the molecular formula C17H23ClN4O3S2 and a molecular weight of 430.98 g/mol. Its IUPAC name is N-[4-[[(5E)-5-(2-pyrrolidin-1-ylethylidene)-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[(5E)-5-(2-pyrrolidin-1-ylethylidene)-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride
PubChem CID6447126
Molecular FormulaC17H23ClN4O3S2
Molecular Weight430.98 g/mol
Exact Mass430.09
IUPAC NameN-[4-[[(5E)-5-(2-pyrrolidin-1-ylethylidene)-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2=NC/C(=C\CN3CCCC3)S2)cc1.Cl
InChIInChI=1S/C17H22N4O3S2.ClH/c1-13(22)19-14-4-6-16(7-5-14)26(23,24)20-17-18-12-15(25-17)8-11-21-9-2-3-10-21;/h4-8H,2-3,9-12H2,1H3,(H,18,20)(H,19,22);1H/b15-8+;
InChIKeyCFXNXOWCBQGNIM-TWNLEINFSA-N
XLogP2.43
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.98
LogP ≤ 52.43
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-pyrrolidin-1-ylethylidene)-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[[(5E)-5-(2-pyrrolidin-1-ylethylidene)-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride (CID 6447126) is N-[4-[[(5E)-5-(2-pyrrolidin-1-ylethylidene)-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[[(5E)-5-(2-pyrrolidin-1-ylethylidene)-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[[(5E)-5-(2-pyrrolidin-1-ylethylidene)-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(S(=O)(=O)NC2=NC/C(=C\CN3CCCC3)S2)cc1.Cl.
What is the InChIKey of N-[4-[[(5E)-5-(2-pyrrolidin-1-ylethylidene)-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride?
The InChIKey is CFXNXOWCBQGNIM-TWNLEINFSA-N. The full InChI is InChI=1S/C17H22N4O3S2.ClH/c1-13(22)19-14-4-6-16(7-5-14)26(23,24)20-17-18-12-15(25-17)8-11-21-9-2-3-10-21;/h4-8H,2-3,9-12H2,1H3,(H,18,20)(H,19,22);1H/b15-8+;.
What are the key properties of N-[4-[[(5E)-5-(2-pyrrolidin-1-ylethylidene)-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride?
N-[4-[[(5E)-5-(2-pyrrolidin-1-ylethylidene)-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride has a molecular weight of 430.98 g/mol, XLogP of 2.43, 5 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-pyrrolidin-1-ylethylidene)-4H-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 6447126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).