(E)-3-cyclopropyl-N-[4-[[(E)-[(5-methyltetrazol-1-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide

C25H23N7O2S — CID 66547205

IUPAC(E)-3-cyclopropyl-N-[4-[[(E)-[(5-methyltetrazol-1-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
SMILESCc1nnnn1/C(=N/OCc1csc(NC(=O)/C=C(/c2ccccc2)C2CC2)n1)c1ccccc1
InChIInChI=1S/C25H23N7O2S/c1-17-28-30-31-32(17)24(20-10-6-3-7-11-20)29-34-15-21-16-35-25(26-21)27-23(33)14-22(19-12-13-19)18-8-4-2-5-9-18/h2-11,14,16,19H,12-13,15H2,1H3,(H,26,27,33)/b22-14-,29-24+
InChIKeyMLSXGFIIKKMINH-NISLRYSNSA-N
MW485.57 g/mol
LogP4.30
Rot. Bonds8

About (E)-3-cyclopropyl-N-[4-[[(E)-[(5-methyltetrazol-1-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide

(E)-3-cyclopropyl-N-[4-[[(E)-[(5-methyltetrazol-1-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide (PubChem CID 66547205) has the molecular formula C25H23N7O2S and a molecular weight of 485.57 g/mol. Its IUPAC name is (E)-3-cyclopropyl-N-[4-[[(E)-[(5-methyltetrazol-1-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-cyclopropyl-N-[4-[[(E)-[(5-methyltetrazol-1-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
PubChem CID66547205
Molecular FormulaC25H23N7O2S
Molecular Weight485.57 g/mol
Exact Mass485.16
IUPAC Name(E)-3-cyclopropyl-N-[4-[[(E)-[(5-methyltetrazol-1-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
SMILESCc1nnnn1/C(=N/OCc1csc(NC(=O)/C=C(/c2ccccc2)C2CC2)n1)c1ccccc1
InChIInChI=1S/C25H23N7O2S/c1-17-28-30-31-32(17)24(20-10-6-3-7-11-20)29-34-15-21-16-35-25(26-21)27-23(33)14-22(19-12-13-19)18-8-4-2-5-9-18/h2-11,14,16,19H,12-13,15H2,1H3,(H,26,27,33)/b22-14-,29-24+
InChIKeyMLSXGFIIKKMINH-NISLRYSNSA-N
XLogP4.30
TPSA107.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-cyclopropyl-N-[4-[[(E)-[(5-methyltetrazol-1-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide 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

2-cyclohexylidene-N-[4-[[(E)-[(5-methyltetrazol-1-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]acetamide
CID 66547204
3,3-dicyclopropyl-N-[4-[[(E)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 66547557
N-[4-[[(Z)-1-phenylethylideneamino]oxymethyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 59870815
4-[[[(5-methyltetrazol-1-yl)-thiophen-3-ylmethylidene]amino]oxymethyl]-1,3-thiazol-2-amine
CID 76677915
2-cyclohexyloxy-N-[4-[[(E)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]acetamide
CID 53247701
N-[4-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]hexanamide
CID 58806356
2,2-dimethyl-N-[4-[[(E)-[phenyl-(1-prop-2-enyltetrazol-5-yl)methylidene]amino]oxymethyl]-1,3-thiazol-2-yl]propanamide
CID 53483290
N-[4-[[(Z)-[(5-methylthiadiazol-4-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 54578644
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 46560108
3-[[(E)-[(3-chlorophenyl)-(5-methyltetrazol-1-yl)methylidene]amino]oxymethyl]-1,2,4-thiadiazol-5-amine;N-[3-[[(E)-[(3-chlorophenyl)-(5-methyltetrazol-1-yl)methylidene]amino]oxymethyl]-1,2,4-thiadiazol-5-yl]hexanamide
CID 172981054
[4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87285914
tert-butyl N-[4-[[[(4-fluoro-3-methylphenyl)-(1-methyltetrazol-5-yl)methylidene]amino]oxymethyl]-1,3-thiazol-2-yl]carbamate
CID 86647360

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclopropyl-N-[4-[[(E)-[(5-methyltetrazol-1-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-3-cyclopropyl-N-[4-[[(E)-[(5-methyltetrazol-1-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide (CID 66547205) is (E)-3-cyclopropyl-N-[4-[[(E)-[(5-methyltetrazol-1-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-cyclopropyl-N-[4-[[(E)-[(5-methyltetrazol-1-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-3-cyclopropyl-N-[4-[[(E)-[(5-methyltetrazol-1-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide is Cc1nnnn1/C(=N/OCc1csc(NC(=O)/C=C(/c2ccccc2)C2CC2)n1)c1ccccc1.
What is the InChIKey of (E)-3-cyclopropyl-N-[4-[[(E)-[(5-methyltetrazol-1-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide?
The InChIKey is MLSXGFIIKKMINH-NISLRYSNSA-N. The full InChI is InChI=1S/C25H23N7O2S/c1-17-28-30-31-32(17)24(20-10-6-3-7-11-20)29-34-15-21-16-35-25(26-21)27-23(33)14-22(19-12-13-19)18-8-4-2-5-9-18/h2-11,14,16,19H,12-13,15H2,1H3,(H,26,27,33)/b22-14-,29-24+.
What are the key properties of (E)-3-cyclopropyl-N-[4-[[(E)-[(5-methyltetrazol-1-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide?
(E)-3-cyclopropyl-N-[4-[[(E)-[(5-methyltetrazol-1-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide has a molecular weight of 485.57 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclopropyl-N-[4-[[(E)-[(5-methyltetrazol-1-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 66547205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).