4-[[4-hydroxy-4-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxamide

C20H19N5O2S — CID 4873441

IUPAC4-[[4-hydroxy-4-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxamide
SMILESCc1ccc(C2(O)CSC(=Nc3nc[nH]c3C(N)=O)N2c2ccccc2)cc1
InChIInChI=1S/C20H19N5O2S/c1-13-7-9-14(10-8-13)20(27)11-28-19(25(20)15-5-3-2-4-6-15)24-18-16(17(21)26)22-12-23-18/h2-10,12,27H,11H2,1H3,(H2,21,26)(H,22,23)
InChIKeyCNYGNHRYCNCCGB-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.90
Rot. Bonds4

About 4-[[4-hydroxy-4-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxamide

4-[[4-hydroxy-4-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxamide (PubChem CID 4873441) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-[[4-hydroxy-4-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-[[4-hydroxy-4-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxamide
PubChem CID4873441
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name4-[[4-hydroxy-4-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxamide
SMILESCc1ccc(C2(O)CSC(=Nc3nc[nH]c3C(N)=O)N2c2ccccc2)cc1
InChIInChI=1S/C20H19N5O2S/c1-13-7-9-14(10-8-13)20(27)11-28-19(25(20)15-5-3-2-4-6-15)24-18-16(17(21)26)22-12-23-18/h2-10,12,27H,11H2,1H3,(H2,21,26)(H,22,23)
InChIKeyCNYGNHRYCNCCGB-UHFFFAOYSA-N
XLogP2.90
TPSA107.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-hydroxy-4-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxamide?
The IUPAC name of 4-[[4-hydroxy-4-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxamide (CID 4873441) is 4-[[4-hydroxy-4-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-[[4-hydroxy-4-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-[[4-hydroxy-4-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxamide is Cc1ccc(C2(O)CSC(=Nc3nc[nH]c3C(N)=O)N2c2ccccc2)cc1.
What is the InChIKey of 4-[[4-hydroxy-4-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxamide?
The InChIKey is CNYGNHRYCNCCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-13-7-9-14(10-8-13)20(27)11-28-19(25(20)15-5-3-2-4-6-15)24-18-16(17(21)26)22-12-23-18/h2-10,12,27H,11H2,1H3,(H2,21,26)(H,22,23).
What are the key properties of 4-[[4-hydroxy-4-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxamide?
4-[[4-hydroxy-4-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-hydroxy-4-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 4873441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).