2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide

C19H13FN4O2S — CID 152973607

IUPAC2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N=C3C(=O)Nc4ccc(F)cc43)s2)cc1
InChIInChI=1S/C19H13FN4O2S/c1-10-2-5-12(6-3-10)22-17(25)15-9-21-19(27-15)24-16-13-8-11(20)4-7-14(13)23-18(16)26/h2-9H,1H3,(H,22,25)(H,21,23,24,26)
InChIKeyUSYWQFCJHIJFQL-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.92
Rot. Bonds3

About 2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide

2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 152973607) has the molecular formula C19H13FN4O2S and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID152973607
Molecular FormulaC19H13FN4O2S
Molecular Weight380.40 g/mol
Exact Mass380.07
IUPAC Name2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N=C3C(=O)Nc4ccc(F)cc43)s2)cc1
InChIInChI=1S/C19H13FN4O2S/c1-10-2-5-12(6-3-10)22-17(25)15-9-21-19(27-15)24-16-13-8-11(20)4-7-14(13)23-18(16)26/h2-9H,1H3,(H,22,25)(H,21,23,24,26)
InChIKeyUSYWQFCJHIJFQL-UHFFFAOYSA-N
XLogP3.92
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
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 2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide (CID 152973607) is 2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide is Cc1ccc(NC(=O)c2cnc(N=C3C(=O)Nc4ccc(F)cc43)s2)cc1.
What is the InChIKey of 2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is USYWQFCJHIJFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2S/c1-10-2-5-12(6-3-10)22-17(25)15-9-21-19(27-15)24-16-13-8-11(20)4-7-14(13)23-18(16)26/h2-9H,1H3,(H,22,25)(H,21,23,24,26).
What are the key properties of 2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 152973607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).