N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-4-ethoxybenzenesulfonamide

C16H22N4O3S2 — CID 9078212

IUPACN-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N/N=C\c2cnc(N(CC)CC)s2)cc1
InChIInChI=1S/C16H22N4O3S2/c1-4-20(5-2)16-17-11-14(24-16)12-18-19-25(21,22)15-9-7-13(8-10-15)23-6-3/h7-12,19H,4-6H2,1-3H3/b18-12-
InChIKeyIQOGCSQJNOTXRA-PDGQHHTCSA-N
MW382.51 g/mol
LogP2.70
Rot. Bonds9

About N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-4-ethoxybenzenesulfonamide

N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-4-ethoxybenzenesulfonamide (PubChem CID 9078212) has the molecular formula C16H22N4O3S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-4-ethoxybenzenesulfonamide
PubChem CID9078212
Molecular FormulaC16H22N4O3S2
Molecular Weight382.51 g/mol
Exact Mass382.11
IUPAC NameN-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N/N=C\c2cnc(N(CC)CC)s2)cc1
InChIInChI=1S/C16H22N4O3S2/c1-4-20(5-2)16-17-11-14(24-16)12-18-19-25(21,22)15-9-7-13(8-10-15)23-6-3/h7-12,19H,4-6H2,1-3H3/b18-12-
InChIKeyIQOGCSQJNOTXRA-PDGQHHTCSA-N
XLogP2.70
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 9217369
4-ethoxy-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]benzenesulfonamide
CID 9078234
4-ethoxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzenesulfonamide
CID 6106562
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516650
4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide
CID 2643152
N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 2643147
4-ethoxy-N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]benzenesulfonamide
CID 2643211
4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643189
4-ethoxy-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
CID 110516688
4-ethoxy-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516725
4-ethoxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
CID 135614386
4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 6910172

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-4-ethoxybenzenesulfonamide (CID 9078212) is N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)N/N=C\c2cnc(N(CC)CC)s2)cc1.
What is the InChIKey of N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-4-ethoxybenzenesulfonamide?
The InChIKey is IQOGCSQJNOTXRA-PDGQHHTCSA-N. The full InChI is InChI=1S/C16H22N4O3S2/c1-4-20(5-2)16-17-11-14(24-16)12-18-19-25(21,22)15-9-7-13(8-10-15)23-6-3/h7-12,19H,4-6H2,1-3H3/b18-12-.
What are the key properties of N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-4-ethoxybenzenesulfonamide?
N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-4-ethoxybenzenesulfonamide has a molecular weight of 382.51 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 9078212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).