(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(5Z)-4-phenyl-5-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3,4-thiadiazol-2-yl]methanone

C25H18N6OS2 — CID 15482605

IUPAC(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(5Z)-4-phenyl-5-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3,4-thiadiazol-2-yl]methanone
SMILESCc1nc(-c2ccccc2)sc1C(=O)c1nn(-c2ccccc2)/c(=N/N=C/c2ccncc2)s1
InChIInChI=1S/C25H18N6OS2/c1-17-22(33-23(28-17)19-8-4-2-5-9-19)21(32)24-30-31(20-10-6-3-7-11-20)25(34-24)29-27-16-18-12-14-26-15-13-18/h2-16H,1H3/b27-16+,29-25-
InChIKeyYNCKFMFRXZAQMJ-VGNOKJMZSA-N
MW482.59 g/mol
LogP4.93
Rot. Bonds6

About (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(5Z)-4-phenyl-5-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3,4-thiadiazol-2-yl]methanone

(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(5Z)-4-phenyl-5-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3,4-thiadiazol-2-yl]methanone (PubChem CID 15482605) has the molecular formula C25H18N6OS2 and a molecular weight of 482.59 g/mol. Its IUPAC name is (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(5Z)-4-phenyl-5-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3,4-thiadiazol-2-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(5Z)-4-phenyl-5-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3,4-thiadiazol-2-yl]methanone
PubChem CID15482605
Molecular FormulaC25H18N6OS2
Molecular Weight482.59 g/mol
Exact Mass482.10
IUPAC Name(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(5Z)-4-phenyl-5-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3,4-thiadiazol-2-yl]methanone
SMILESCc1nc(-c2ccccc2)sc1C(=O)c1nn(-c2ccccc2)/c(=N/N=C/c2ccncc2)s1
InChIInChI=1S/C25H18N6OS2/c1-17-22(33-23(28-17)19-8-4-2-5-9-19)21(32)24-30-31(20-10-6-3-7-11-20)25(34-24)29-27-16-18-12-14-26-15-13-18/h2-16H,1H3/b27-16+,29-25-
InChIKeyYNCKFMFRXZAQMJ-VGNOKJMZSA-N
XLogP4.93
TPSA85.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(5Z)-4-phenyl-5-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3,4-thiadiazol-2-yl]methanone 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

(5Z)-N,4-diphenyl-5-[(E)-pyridin-3-ylmethylidenehydrazinylidene]-1,3,4-thiadiazole-2-carboxamide
CID 177394230
4-methyl-2-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide
CID 39966458
2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
CID 14318557
4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 4319506
methanidyl-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)azanium
CID 59280512
1-(3-chlorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108633445
3-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 172677917
4-methyl-2-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 75490366
4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-1-[3-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
CID 108673706
4-methyl-2-phenyl-N'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-thiazole-5-carbohydrazide
CID 26617409
naphthalen-2-yl-[(5E)-4-phenyl-5-[(E)-1-phenylethylidenehydrazinylidene]-1,3,4-thiadiazol-2-yl]methanone
CID 177475365
N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080833

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(5Z)-4-phenyl-5-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3,4-thiadiazol-2-yl]methanone?
The IUPAC name of (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(5Z)-4-phenyl-5-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3,4-thiadiazol-2-yl]methanone (CID 15482605) is (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(5Z)-4-phenyl-5-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3,4-thiadiazol-2-yl]methanone.
What is the SMILES notation for (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(5Z)-4-phenyl-5-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3,4-thiadiazol-2-yl]methanone?
The canonical SMILES for (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(5Z)-4-phenyl-5-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3,4-thiadiazol-2-yl]methanone is Cc1nc(-c2ccccc2)sc1C(=O)c1nn(-c2ccccc2)/c(=N/N=C/c2ccncc2)s1.
What is the InChIKey of (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(5Z)-4-phenyl-5-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3,4-thiadiazol-2-yl]methanone?
The InChIKey is YNCKFMFRXZAQMJ-VGNOKJMZSA-N. The full InChI is InChI=1S/C25H18N6OS2/c1-17-22(33-23(28-17)19-8-4-2-5-9-19)21(32)24-30-31(20-10-6-3-7-11-20)25(34-24)29-27-16-18-12-14-26-15-13-18/h2-16H,1H3/b27-16+,29-25-.
What are the key properties of (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(5Z)-4-phenyl-5-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3,4-thiadiazol-2-yl]methanone?
(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(5Z)-4-phenyl-5-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3,4-thiadiazol-2-yl]methanone has a molecular weight of 482.59 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(5Z)-4-phenyl-5-[(E)-pyridin-4-ylmethylidenehydrazinylidene]-1,3,4-thiadiazol-2-yl]methanone is sourced from PubChem (CID 15482605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).