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

C20H14FN3O4S — CID 135631681

IUPAC2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESCOc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)cc1F
InChIInChI=1S/C20H14FN3O4S/c1-27-16-5-3-12(9-15(16)21)23-19-14(18(26)24-20-22-6-7-29-20)8-11-2-4-13(25)10-17(11)28-19/h2-10,25H,1H3,(H,22,24,26)/b23-19-
InChIKeyGPBOKUZDRGIYCL-NMWGTECJSA-N
MW411.41 g/mol
LogP4.23
Rot. Bonds4

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

2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 135631681) has the molecular formula C20H14FN3O4S and a molecular weight of 411.41 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
PubChem CID135631681
Molecular FormulaC20H14FN3O4S
Molecular Weight411.41 g/mol
Exact Mass411.07
IUPAC Name2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESCOc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)cc1F
InChIInChI=1S/C20H14FN3O4S/c1-27-16-5-3-12(9-15(16)21)23-19-14(18(26)24-20-22-6-7-29-20)8-11-2-4-13(25)10-17(11)28-19/h2-10,25H,1H3,(H,22,24,26)/b23-19-
InChIKeyGPBOKUZDRGIYCL-NMWGTECJSA-N
XLogP4.23
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-chloro-4-fluorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631659
2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631585
methyl 3-[[7-hydroxy-3-(1,3-thiazol-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate
CID 135631643
7-hydroxy-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide
CID 135631666
2-(2-fluoro-5-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631679
2-(3-chlorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631655
2-(1,3-benzodioxol-5-ylimino)-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631640
2-(4-fluoro-2-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631668
2-(4-fluoro-3-methylphenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367650
2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 136777862
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-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 135631681) is 2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The InChIKey is GPBOKUZDRGIYCL-NMWGTECJSA-N. The full InChI is InChI=1S/C20H14FN3O4S/c1-27-16-5-3-12(9-15(16)21)23-19-14(18(26)24-20-22-6-7-29-20)8-11-2-4-13(25)10-17(11)28-19/h2-10,25H,1H3,(H,22,24,26)/b23-19-.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 411.41 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 135631681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).