4-(4-fluoroanilino)-5-[(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one

C19H12FN3O2S — CID 136887838

IUPAC4-(4-fluoroanilino)-5-[(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one
SMILESO=C1N=c2ccccc2=CC1=Cc1sc(=O)[nH]c1Nc1ccc(F)cc1
InChIInChI=1S/C19H12FN3O2S/c20-13-5-7-14(8-6-13)21-17-16(26-19(25)23-17)10-12-9-11-3-1-2-4-15(11)22-18(12)24/h1-10,21H,(H,23,25)
InChIKeyDURFZSQWMBCCEV-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.34
Rot. Bonds3

About 4-(4-fluoroanilino)-5-[(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one

4-(4-fluoroanilino)-5-[(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one (PubChem CID 136887838) has the molecular formula C19H12FN3O2S and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-(4-fluoroanilino)-5-[(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(4-fluoroanilino)-5-[(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one
PubChem CID136887838
Molecular FormulaC19H12FN3O2S
Molecular Weight365.39 g/mol
Exact Mass365.06
IUPAC Name4-(4-fluoroanilino)-5-[(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one
SMILESO=C1N=c2ccccc2=CC1=Cc1sc(=O)[nH]c1Nc1ccc(F)cc1
InChIInChI=1S/C19H12FN3O2S/c20-13-5-7-14(8-6-13)21-17-16(26-19(25)23-17)10-12-9-11-3-1-2-4-15(11)22-18(12)24/h1-10,21H,(H,23,25)
InChIKeyDURFZSQWMBCCEV-UHFFFAOYSA-N
XLogP2.34
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroanilino)-5-[(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(4-fluoroanilino)-5-[(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one (CID 136887838) is 4-(4-fluoroanilino)-5-[(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(4-fluoroanilino)-5-[(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(4-fluoroanilino)-5-[(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one is O=C1N=c2ccccc2=CC1=Cc1sc(=O)[nH]c1Nc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluoroanilino)-5-[(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is DURFZSQWMBCCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O2S/c20-13-5-7-14(8-6-13)21-17-16(26-19(25)23-17)10-12-9-11-3-1-2-4-15(11)22-18(12)24/h1-10,21H,(H,23,25).
What are the key properties of 4-(4-fluoroanilino)-5-[(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one?
4-(4-fluoroanilino)-5-[(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 365.39 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroanilino)-5-[(2-oxoquinolin-3-ylidene)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 136887838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).