(NE,1Z)-3-carbazol-9-yl-N-[[4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-3H-1,3-thiazol-5-yl]methylidene]propanehydrazonate

C26H23N5O2S — CID 135650337

IUPAC(NE,1Z)-3-carbazol-9-yl-N-[[4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-3H-1,3-thiazol-5-yl]methylidene]propanehydrazonate
SMILESCCc1ccc[n+](-c2[nH]c(=O)sc2/C=N/N=C(\[O-])CCn2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C26H23N5O2S/c1-2-18-8-7-14-30(17-18)25-23(34-26(33)28-25)16-27-29-24(32)13-15-31-21-11-5-3-9-19(21)20-10-4-6-12-22(20)31/h3-12,14,16-17H,2,13,15H2,1H3,(H-,27,28,29,32,33)
InChIKeyCTOPDRKAONZSSR-UHFFFAOYSA-N
MW469.57 g/mol
LogP3.57
Rot. Bonds7

About (NE,1Z)-3-carbazol-9-yl-N-[[4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-3H-1,3-thiazol-5-yl]methylidene]propanehydrazonate

(NE,1Z)-3-carbazol-9-yl-N-[[4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-3H-1,3-thiazol-5-yl]methylidene]propanehydrazonate (PubChem CID 135650337) has the molecular formula C26H23N5O2S and a molecular weight of 469.57 g/mol. Its IUPAC name is (NE,1Z)-3-carbazol-9-yl-N-[[4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-3H-1,3-thiazol-5-yl]methylidene]propanehydrazonate.

Molecular Properties

Compound Name(NE,1Z)-3-carbazol-9-yl-N-[[4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-3H-1,3-thiazol-5-yl]methylidene]propanehydrazonate
PubChem CID135650337
Molecular FormulaC26H23N5O2S
Molecular Weight469.57 g/mol
Exact Mass469.16
IUPAC Name(NE,1Z)-3-carbazol-9-yl-N-[[4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-3H-1,3-thiazol-5-yl]methylidene]propanehydrazonate
SMILESCCc1ccc[n+](-c2[nH]c(=O)sc2/C=N/N=C(\[O-])CCn2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C26H23N5O2S/c1-2-18-8-7-14-30(17-18)25-23(34-26(33)28-25)16-27-29-24(32)13-15-31-21-11-5-3-9-19(21)20-10-4-6-12-22(20)31/h3-12,14,16-17H,2,13,15H2,1H3,(H-,27,28,29,32,33)
InChIKeyCTOPDRKAONZSSR-UHFFFAOYSA-N
XLogP3.57
TPSA89.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_C(11)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (NE,1Z)-3-carbazol-9-yl-N-[[4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-3H-1,3-thiazol-5-yl]methylidene]propanehydrazonate 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

(NE,1Z)-3-carbazol-9-yl-N-[[4-(4-methylpyridin-1-ium-1-yl)-2-oxo-3H-1,3-thiazol-5-yl]methylidene]propanehydrazonate
CID 135650318
(NE,4Z)-N-[[4-(4-ethylpyridin-1-ium-1-yl)-2-oxo-3H-1,3-thiazol-5-yl]methylidene]pyridine-4-carbohydrazonate
CID 135550894
N-[(Z)-[4-(3-methylpyridin-1-ium-1-yl)-2-oxo-3H-1,3-thiazol-5-yl]methylideneamino]benzamide
CID 135904230
4-(3-ethylpyridin-1-ium-1-yl)-5-formyl-1,3-thiazol-2-olate
CID 792704
3-[(4-ethylphenyl)iminomethyl]-1-methylindol-2-ol
CID 136935335
1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one
CID 136671574
1-ethyl-3-[(E)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one
CID 135679488
3-(2-benzylpyrido[4,3-b]indol-2-ium-5-yl)-1-phenothiazin-10-ylpropan-1-one
CID 164612790
1-heptyl-4-hydroxy-3-(pyridin-4-ylmethyliminomethyl)quinolin-2-one
CID 135967926
3-carbazol-9-yl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135495779
3-(2,4-dioxoquinazolin-1-yl)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]propanamide
CID 56544822
3-carbazol-9-yl-N-[1-(furan-2-yl)ethylideneamino]propanamide
CID 742193

Frequently Asked Questions

What is the IUPAC name of (NE,1Z)-3-carbazol-9-yl-N-[[4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-3H-1,3-thiazol-5-yl]methylidene]propanehydrazonate?
The IUPAC name of (NE,1Z)-3-carbazol-9-yl-N-[[4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-3H-1,3-thiazol-5-yl]methylidene]propanehydrazonate (CID 135650337) is (NE,1Z)-3-carbazol-9-yl-N-[[4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-3H-1,3-thiazol-5-yl]methylidene]propanehydrazonate.
What is the SMILES notation for (NE,1Z)-3-carbazol-9-yl-N-[[4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-3H-1,3-thiazol-5-yl]methylidene]propanehydrazonate?
The canonical SMILES for (NE,1Z)-3-carbazol-9-yl-N-[[4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-3H-1,3-thiazol-5-yl]methylidene]propanehydrazonate is CCc1ccc[n+](-c2[nH]c(=O)sc2/C=N/N=C(\[O-])CCn2c3ccccc3c3ccccc32)c1.
What is the InChIKey of (NE,1Z)-3-carbazol-9-yl-N-[[4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-3H-1,3-thiazol-5-yl]methylidene]propanehydrazonate?
The InChIKey is CTOPDRKAONZSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2S/c1-2-18-8-7-14-30(17-18)25-23(34-26(33)28-25)16-27-29-24(32)13-15-31-21-11-5-3-9-19(21)20-10-4-6-12-22(20)31/h3-12,14,16-17H,2,13,15H2,1H3,(H-,27,28,29,32,33).
What are the key properties of (NE,1Z)-3-carbazol-9-yl-N-[[4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-3H-1,3-thiazol-5-yl]methylidene]propanehydrazonate?
(NE,1Z)-3-carbazol-9-yl-N-[[4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-3H-1,3-thiazol-5-yl]methylidene]propanehydrazonate has a molecular weight of 469.57 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,1Z)-3-carbazol-9-yl-N-[[4-(3-ethylpyridin-1-ium-1-yl)-2-oxo-3H-1,3-thiazol-5-yl]methylidene]propanehydrazonate is sourced from PubChem (CID 135650337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).