6-bromo-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

C19H11BrFN3O2S — CID 5171136

IUPAC6-bromo-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2cc(Br)ccc2o/c1=N\c1ccc(F)cc1
InChIInChI=1S/C19H11BrFN3O2S/c20-12-1-6-16-11(9-12)10-15(17(25)24-19-22-7-8-27-19)18(26-16)23-14-4-2-13(21)3-5-14/h1-10H,(H,22,24,25)/b23-18-
InChIKeyBLLOAKSKMAXHEQ-NKFKGCMQSA-N
MW444.29 g/mol
LogP5.28
Rot. Bonds3

About 6-bromo-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

6-bromo-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 5171136) has the molecular formula C19H11BrFN3O2S and a molecular weight of 444.29 g/mol. Its IUPAC name is 6-bromo-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
PubChem CID5171136
Molecular FormulaC19H11BrFN3O2S
Molecular Weight444.29 g/mol
Exact Mass442.97
IUPAC Name6-bromo-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2cc(Br)ccc2o/c1=N\c1ccc(F)cc1
InChIInChI=1S/C19H11BrFN3O2S/c20-12-1-6-16-11(9-12)10-15(17(25)24-19-22-7-8-27-19)18(26-16)23-14-4-2-13(21)3-5-14/h1-10H,(H,22,24,25)/b23-18-
InChIKeyBLLOAKSKMAXHEQ-NKFKGCMQSA-N
XLogP5.28
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.29
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 6-bromo-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 5171136) is 6-bromo-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 6-bromo-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 6-bromo-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is O=C(Nc1nccs1)c1cc2cc(Br)ccc2o/c1=N\c1ccc(F)cc1.
What is the InChIKey of 6-bromo-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The InChIKey is BLLOAKSKMAXHEQ-NKFKGCMQSA-N. The full InChI is InChI=1S/C19H11BrFN3O2S/c20-12-1-6-16-11(9-12)10-15(17(25)24-19-22-7-8-27-19)18(26-16)23-14-4-2-13(21)3-5-14/h1-10H,(H,22,24,25)/b23-18-.
What are the key properties of 6-bromo-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
6-bromo-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 444.29 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 5171136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).