N-[(Z)-[(E)-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]amino]-4-methylthiadiazole-5-carboxamide

C20H17ClN4OS — CID 118706234

IUPACN-[(Z)-[(E)-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]amino]-4-methylthiadiazole-5-carboxamide
SMILESCc1ccc(/C=C/C(=N/NC(=O)c2snnc2C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H17ClN4OS/c1-13-3-5-15(6-4-13)7-12-18(16-8-10-17(21)11-9-16)23-24-20(26)19-14(2)22-25-27-19/h3-12H,1-2H3,(H,24,26)/b12-7+,23-18-
InChIKeyJVIRTQVFRYNZMQ-KAOWQTPLSA-N
MW396.90 g/mol
LogP4.66
Rot. Bonds5

About N-[(Z)-[(E)-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]amino]-4-methylthiadiazole-5-carboxamide

N-[(Z)-[(E)-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]amino]-4-methylthiadiazole-5-carboxamide (PubChem CID 118706234) has the molecular formula C20H17ClN4OS and a molecular weight of 396.90 g/mol. Its IUPAC name is N-[(Z)-[(E)-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]amino]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(E)-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]amino]-4-methylthiadiazole-5-carboxamide
PubChem CID118706234
Molecular FormulaC20H17ClN4OS
Molecular Weight396.90 g/mol
Exact Mass396.08
IUPAC NameN-[(Z)-[(E)-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]amino]-4-methylthiadiazole-5-carboxamide
SMILESCc1ccc(/C=C/C(=N/NC(=O)c2snnc2C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H17ClN4OS/c1-13-3-5-15(6-4-13)7-12-18(16-8-10-17(21)11-9-16)23-24-20(26)19-14(2)22-25-27-19/h3-12H,1-2H3,(H,24,26)/b12-7+,23-18-
InChIKeyJVIRTQVFRYNZMQ-KAOWQTPLSA-N
XLogP4.66
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-[(E)-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]amino]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(Z)-[(E)-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]amino]-4-methylthiadiazole-5-carboxamide (CID 118706234) is N-[(Z)-[(E)-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]amino]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(Z)-[(E)-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]amino]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(Z)-[(E)-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]amino]-4-methylthiadiazole-5-carboxamide is Cc1ccc(/C=C/C(=N/NC(=O)c2snnc2C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(Z)-[(E)-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]amino]-4-methylthiadiazole-5-carboxamide?
The InChIKey is JVIRTQVFRYNZMQ-KAOWQTPLSA-N. The full InChI is InChI=1S/C20H17ClN4OS/c1-13-3-5-15(6-4-13)7-12-18(16-8-10-17(21)11-9-16)23-24-20(26)19-14(2)22-25-27-19/h3-12H,1-2H3,(H,24,26)/b12-7+,23-18-.
What are the key properties of N-[(Z)-[(E)-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]amino]-4-methylthiadiazole-5-carboxamide?
N-[(Z)-[(E)-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]amino]-4-methylthiadiazole-5-carboxamide has a molecular weight of 396.90 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]amino]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 118706234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).