5-[(3,5-difluorophenyl)methylamino]-3-(1,3-thiazol-5-ylmethylidene)-1H-indol-2-one

C19H13F2N3OS — CID 175592087

IUPAC5-[(3,5-difluorophenyl)methylamino]-3-(1,3-thiazol-5-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(NCc3cc(F)cc(F)c3)cc2C1=Cc1cncs1
InChIInChI=1S/C19H13F2N3OS/c20-12-3-11(4-13(21)5-12)8-23-14-1-2-18-16(6-14)17(19(25)24-18)7-15-9-22-10-26-15/h1-7,9-10,23H,8H2,(H,24,25)
InChIKeyUJGGDVHNEWJRNL-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.53
Rot. Bonds4

About 5-[(3,5-difluorophenyl)methylamino]-3-(1,3-thiazol-5-ylmethylidene)-1H-indol-2-one

5-[(3,5-difluorophenyl)methylamino]-3-(1,3-thiazol-5-ylmethylidene)-1H-indol-2-one (PubChem CID 175592087) has the molecular formula C19H13F2N3OS and a molecular weight of 369.40 g/mol. Its IUPAC name is 5-[(3,5-difluorophenyl)methylamino]-3-(1,3-thiazol-5-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name5-[(3,5-difluorophenyl)methylamino]-3-(1,3-thiazol-5-ylmethylidene)-1H-indol-2-one
PubChem CID175592087
Molecular FormulaC19H13F2N3OS
Molecular Weight369.40 g/mol
Exact Mass369.07
IUPAC Name5-[(3,5-difluorophenyl)methylamino]-3-(1,3-thiazol-5-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(NCc3cc(F)cc(F)c3)cc2C1=Cc1cncs1
InChIInChI=1S/C19H13F2N3OS/c20-12-3-11(4-13(21)5-12)8-23-14-1-2-18-16(6-14)17(19(25)24-18)7-15-9-22-10-26-15/h1-7,9-10,23H,8H2,(H,24,25)
InChIKeyUJGGDVHNEWJRNL-UHFFFAOYSA-N
XLogP4.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.53
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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Related Compounds

5-[(3,5-difluorophenyl)methylamino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
CID 175592069
5-[(4-fluorophenyl)methylamino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
CID 175592071
5-[(5-fluoro-2-methoxy-3-pyridinyl)methylamino]-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
CID 175592086
5-[(2,5-difluorophenyl)methylamino]-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
CID 175592085
5-chloro-3-(thiophen-2-ylmethylidene)-1H-indol-2-one
CID 3431448
5-(2-chloroethyl)-3-[(3,5-difluorophenyl)methylidene]-1H-indol-2-one
CID 57048256
6-[(3,5-difluorophenyl)methylamino]-4H-1,4-benzothiazin-3-one
CID 103851322
1-(4-methylsulfanylphenyl)-3-[(3Z)-2-oxo-3-(thiophen-2-ylmethylidene)-1H-indol-5-yl]urea
CID 127037282
5-(2-chloroethyl)-3-(thiophen-2-ylmethylidene)-1H-indol-2-one
CID 57112017
CID 73212798
CID 73212798
N-[(4-fluorophenyl)methyl]-1,3-thiazol-5-amine
CID 91208899
N-[(3Z)-3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]methanesulfonamide
CID 121276974

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluorophenyl)methylamino]-3-(1,3-thiazol-5-ylmethylidene)-1H-indol-2-one?
The IUPAC name of 5-[(3,5-difluorophenyl)methylamino]-3-(1,3-thiazol-5-ylmethylidene)-1H-indol-2-one (CID 175592087) is 5-[(3,5-difluorophenyl)methylamino]-3-(1,3-thiazol-5-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for 5-[(3,5-difluorophenyl)methylamino]-3-(1,3-thiazol-5-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for 5-[(3,5-difluorophenyl)methylamino]-3-(1,3-thiazol-5-ylmethylidene)-1H-indol-2-one is O=C1Nc2ccc(NCc3cc(F)cc(F)c3)cc2C1=Cc1cncs1.
What is the InChIKey of 5-[(3,5-difluorophenyl)methylamino]-3-(1,3-thiazol-5-ylmethylidene)-1H-indol-2-one?
The InChIKey is UJGGDVHNEWJRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3OS/c20-12-3-11(4-13(21)5-12)8-23-14-1-2-18-16(6-14)17(19(25)24-18)7-15-9-22-10-26-15/h1-7,9-10,23H,8H2,(H,24,25).
What are the key properties of 5-[(3,5-difluorophenyl)methylamino]-3-(1,3-thiazol-5-ylmethylidene)-1H-indol-2-one?
5-[(3,5-difluorophenyl)methylamino]-3-(1,3-thiazol-5-ylmethylidene)-1H-indol-2-one has a molecular weight of 369.40 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluorophenyl)methylamino]-3-(1,3-thiazol-5-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 175592087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).