4-(4-methoxyanilino)-5-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-3H-1,3-thiazol-2-one

C20H16N4O2S — CID 135782219

IUPAC4-(4-methoxyanilino)-5-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-3H-1,3-thiazol-2-one
SMILESCOc1ccc(Nc2[nH]c(=O)sc2/C=C2\C=NN=C2c2ccccc2)cc1
InChIInChI=1S/C20H16N4O2S/c1-26-16-9-7-15(8-10-16)22-19-17(27-20(25)23-19)11-14-12-21-24-18(14)13-5-3-2-4-6-13/h2-12,22H,1H3,(H,23,25)/b14-11+
InChIKeyKASDEUBYLBNNOP-SDNWHVSQSA-N
MW376.44 g/mol
LogP4.06
Rot. Bonds5

About 4-(4-methoxyanilino)-5-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-3H-1,3-thiazol-2-one

4-(4-methoxyanilino)-5-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-3H-1,3-thiazol-2-one (PubChem CID 135782219) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-(4-methoxyanilino)-5-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(4-methoxyanilino)-5-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-3H-1,3-thiazol-2-one
PubChem CID135782219
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name4-(4-methoxyanilino)-5-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-3H-1,3-thiazol-2-one
SMILESCOc1ccc(Nc2[nH]c(=O)sc2/C=C2\C=NN=C2c2ccccc2)cc1
InChIInChI=1S/C20H16N4O2S/c1-26-16-9-7-15(8-10-16)22-19-17(27-20(25)23-19)11-14-12-21-24-18(14)13-5-3-2-4-6-13/h2-12,22H,1H3,(H,23,25)/b14-11+
InChIKeyKASDEUBYLBNNOP-SDNWHVSQSA-N
XLogP4.06
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyanilino)-5-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(4-methoxyanilino)-5-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-3H-1,3-thiazol-2-one (CID 135782219) is 4-(4-methoxyanilino)-5-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(4-methoxyanilino)-5-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(4-methoxyanilino)-5-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-3H-1,3-thiazol-2-one is COc1ccc(Nc2[nH]c(=O)sc2/C=C2\C=NN=C2c2ccccc2)cc1.
What is the InChIKey of 4-(4-methoxyanilino)-5-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is KASDEUBYLBNNOP-SDNWHVSQSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-26-16-9-7-15(8-10-16)22-19-17(27-20(25)23-19)11-14-12-21-24-18(14)13-5-3-2-4-6-13/h2-12,22H,1H3,(H,23,25)/b14-11+.
What are the key properties of 4-(4-methoxyanilino)-5-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-3H-1,3-thiazol-2-one?
4-(4-methoxyanilino)-5-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 376.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyanilino)-5-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 135782219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).