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

C16H22N4O2S2 — CID 9217369

IUPACN-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide
SMILESCCN(CC)c1ncc(/C=N\NS(=O)(=O)c2cc(C)ccc2C)s1
InChIInChI=1S/C16H22N4O2S2/c1-5-20(6-2)16-17-10-14(23-16)11-18-19-24(21,22)15-9-12(3)7-8-13(15)4/h7-11,19H,5-6H2,1-4H3/b18-11-
InChIKeyONLXDFXNDNHKGT-WQRHYEAKSA-N
MW366.51 g/mol
LogP2.92
Rot. Bonds7

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

N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide (PubChem CID 9217369) has the molecular formula C16H22N4O2S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide
PubChem CID9217369
Molecular FormulaC16H22N4O2S2
Molecular Weight366.51 g/mol
Exact Mass366.12
IUPAC NameN-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide
SMILESCCN(CC)c1ncc(/C=N\NS(=O)(=O)c2cc(C)ccc2C)s1
InChIInChI=1S/C16H22N4O2S2/c1-5-20(6-2)16-17-10-14(23-16)11-18-19-24(21,22)15-9-12(3)7-8-13(15)4/h7-11,19H,5-6H2,1-4H3/b18-11-
InChIKeyONLXDFXNDNHKGT-WQRHYEAKSA-N
XLogP2.92
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide (CID 9217369) is N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide is CCN(CC)c1ncc(/C=N\NS(=O)(=O)c2cc(C)ccc2C)s1.
What is the InChIKey of N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide?
The InChIKey is ONLXDFXNDNHKGT-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H22N4O2S2/c1-5-20(6-2)16-17-10-14(23-16)11-18-19-24(21,22)15-9-12(3)7-8-13(15)4/h7-11,19H,5-6H2,1-4H3/b18-11-.
What are the key properties of N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide?
N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide has a molecular weight of 366.51 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(diethylamino)-1,3-thiazol-5-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 9217369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).