N-[(Z)-1-[4-[[(5S)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-3-hydroxybenzamide

C20H22N4O2S — CID 9234504

IUPACN-[(Z)-1-[4-[[(5S)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-3-hydroxybenzamide
SMILESCC[C@H]1CN=C(Nc2ccc(/C(C)=N\NC(=O)c3cccc(O)c3)cc2)S1
InChIInChI=1S/C20H22N4O2S/c1-3-18-12-21-20(27-18)22-16-9-7-14(8-10-16)13(2)23-24-19(26)15-5-4-6-17(25)11-15/h4-11,18,25H,3,12H2,1-2H3,(H,21,22)(H,24,26)/b23-13-/t18-/m0/s1
InChIKeyPMWPHUDVKYGUSO-QRAWFLTRSA-N
MW382.49 g/mol
LogP3.84
Rot. Bonds5

About N-[(Z)-1-[4-[[(5S)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-3-hydroxybenzamide

N-[(Z)-1-[4-[[(5S)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-3-hydroxybenzamide (PubChem CID 9234504) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[(Z)-1-[4-[[(5S)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-[[(5S)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-3-hydroxybenzamide
PubChem CID9234504
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[(Z)-1-[4-[[(5S)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-3-hydroxybenzamide
SMILESCC[C@H]1CN=C(Nc2ccc(/C(C)=N\NC(=O)c3cccc(O)c3)cc2)S1
InChIInChI=1S/C20H22N4O2S/c1-3-18-12-21-20(27-18)22-16-9-7-14(8-10-16)13(2)23-24-19(26)15-5-4-6-17(25)11-15/h4-11,18,25H,3,12H2,1-2H3,(H,21,22)(H,24,26)/b23-13-/t18-/m0/s1
InChIKeyPMWPHUDVKYGUSO-QRAWFLTRSA-N
XLogP3.84
TPSA86.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.84
H-Bond Donors ≤ 53
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'}

Analyze N-[(Z)-1-[4-[[(5S)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-3-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-4-fluorobenzamide
CID 9194768
N-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 9215333
ethyl N-[(Z)-1-[4-[[(5S)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]carbamate
CID 9211812
1-[(Z)-1-[4-[[(5R)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-3-methylthiourea
CID 9212018
4-[(2Z)-2-[1-[4-[[(5S)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylidene]hydrazinyl]benzoic acid
CID 9194583
N-[1-(3-hydroxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 139767693
3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 17126860
N-[1-(3-hydroxyphenyl)ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 4103586
N-[(Z)-1-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethylideneamino]-3-nitrobenzamide
CID 9016056
N-(3-ethoxyphenyl)-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 113492430
3-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 54777660
N-(1-cyclopropylethylideneamino)-3-hydroxybenzamide
CID 780352

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-[[(5S)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-3-hydroxybenzamide?
The IUPAC name of N-[(Z)-1-[4-[[(5S)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-3-hydroxybenzamide (CID 9234504) is N-[(Z)-1-[4-[[(5S)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-3-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-1-[4-[[(5S)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-3-hydroxybenzamide?
The canonical SMILES for N-[(Z)-1-[4-[[(5S)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-3-hydroxybenzamide is CC[C@H]1CN=C(Nc2ccc(/C(C)=N\NC(=O)c3cccc(O)c3)cc2)S1.
What is the InChIKey of N-[(Z)-1-[4-[[(5S)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-3-hydroxybenzamide?
The InChIKey is PMWPHUDVKYGUSO-QRAWFLTRSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-3-18-12-21-20(27-18)22-16-9-7-14(8-10-16)13(2)23-24-19(26)15-5-4-6-17(25)11-15/h4-11,18,25H,3,12H2,1-2H3,(H,21,22)(H,24,26)/b23-13-/t18-/m0/s1.
What are the key properties of N-[(Z)-1-[4-[[(5S)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-3-hydroxybenzamide?
N-[(Z)-1-[4-[[(5S)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-3-hydroxybenzamide has a molecular weight of 382.49 g/mol, XLogP of 3.84, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-[[(5S)-5-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethylideneamino]-3-hydroxybenzamide is sourced from PubChem (CID 9234504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).