2-(2-fluoro-5-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

C20H14FN3O3S — CID 135631679

IUPAC2-(2-fluoro-5-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESCc1ccc(F)c(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)c1
InChIInChI=1S/C20H14FN3O3S/c1-11-2-5-15(21)16(8-11)23-19-14(18(26)24-20-22-6-7-28-20)9-12-3-4-13(25)10-17(12)27-19/h2-10,25H,1H3,(H,22,24,26)/b23-19-
InChIKeyJCVUSJSBOKIQIU-NMWGTECJSA-N
MW395.42 g/mol
LogP4.53
Rot. Bonds3

About 2-(2-fluoro-5-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

2-(2-fluoro-5-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 135631679) has the molecular formula C20H14FN3O3S and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
PubChem CID135631679
Molecular FormulaC20H14FN3O3S
Molecular Weight395.42 g/mol
Exact Mass395.07
IUPAC Name2-(2-fluoro-5-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESCc1ccc(F)c(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)c1
InChIInChI=1S/C20H14FN3O3S/c1-11-2-5-15(21)16(8-11)23-19-14(18(26)24-20-22-6-7-28-20)9-12-3-4-13(25)10-17(12)27-19/h2-10,25H,1H3,(H,22,24,26)/b23-19-
InChIKeyJCVUSJSBOKIQIU-NMWGTECJSA-N
XLogP4.53
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluoro-2-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631668
2-(3-chloro-4-fluorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631659
2-(2-fluoro-4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367687
2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631681
2-(3-chlorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631655
2-(5-chloro-2-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367701
2-(5-chloro-2-fluorophenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135990507
7-hydroxy-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide
CID 135631666
2-(2,5-dimethylphenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631538
methyl 3-[[7-hydroxy-3-(1,3-thiazol-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate
CID 135631643
2-(1,3-benzodioxol-5-ylimino)-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631640
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-(2-fluoro-5-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 2-(2-fluoro-5-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 135631679) is 2-(2-fluoro-5-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 2-(2-fluoro-5-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 2-(2-fluoro-5-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is Cc1ccc(F)c(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)c1.
What is the InChIKey of 2-(2-fluoro-5-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The InChIKey is JCVUSJSBOKIQIU-NMWGTECJSA-N. The full InChI is InChI=1S/C20H14FN3O3S/c1-11-2-5-15(21)16(8-11)23-19-14(18(26)24-20-22-6-7-28-20)9-12-3-4-13(25)10-17(12)27-19/h2-10,25H,1H3,(H,22,24,26)/b23-19-.
What are the key properties of 2-(2-fluoro-5-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
2-(2-fluoro-5-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 135631679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).