2-(3-chloro-4-fluorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

C19H11ClFN3O3S — CID 135631659

IUPAC2-(3-chloro-4-fluorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1ccc(F)c(Cl)c1
InChIInChI=1S/C19H11ClFN3O3S/c20-14-8-11(2-4-15(14)21)23-18-13(17(26)24-19-22-5-6-28-19)7-10-1-3-12(25)9-16(10)27-18/h1-9,25H,(H,22,24,26)/b23-18-
InChIKeyOQKWBUZFINFFPI-NKFKGCMQSA-N
MW415.83 g/mol
LogP4.87
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

2-(3-chloro-4-fluorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 135631659) has the molecular formula C19H11ClFN3O3S and a molecular weight of 415.83 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
PubChem CID135631659
Molecular FormulaC19H11ClFN3O3S
Molecular Weight415.83 g/mol
Exact Mass415.02
IUPAC Name2-(3-chloro-4-fluorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1ccc(F)c(Cl)c1
InChIInChI=1S/C19H11ClFN3O3S/c20-14-8-11(2-4-15(14)21)23-18-13(17(26)24-19-22-5-6-28-19)7-10-1-3-12(25)9-16(10)27-18/h1-9,25H,(H,22,24,26)/b23-18-
InChIKeyOQKWBUZFINFFPI-NKFKGCMQSA-N
XLogP4.87
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.83
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chlorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631655
2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631681
2-(2-fluoro-5-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631679
7-hydroxy-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide
CID 135631666
2-(1,3-benzodioxol-5-ylimino)-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631640
methyl 3-[[7-hydroxy-3-(1,3-thiazol-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate
CID 135631643
2-(4-fluoro-2-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631668
2-(4-chloro-3-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367699
2-(5-chloro-2-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367701
2-(4-chlorophenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631616
2-(4-methylsulfanylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367697
2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 5085744

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 135631659) is 2-(3-chloro-4-fluorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is O=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The InChIKey is OQKWBUZFINFFPI-NKFKGCMQSA-N. The full InChI is InChI=1S/C19H11ClFN3O3S/c20-14-8-11(2-4-15(14)21)23-18-13(17(26)24-19-22-5-6-28-19)7-10-1-3-12(25)9-16(10)27-18/h1-9,25H,(H,22,24,26)/b23-18-.
What are the key properties of 2-(3-chloro-4-fluorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
2-(3-chloro-4-fluorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 415.83 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 135631659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).