7-hydroxy-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide

C20H12F3N3O4S — CID 135631666

IUPAC7-hydroxy-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H12F3N3O4S/c21-20(22,23)30-14-5-2-12(3-6-14)25-18-15(17(28)26-19-24-7-8-31-19)9-11-1-4-13(27)10-16(11)29-18/h1-10,27H,(H,24,26,28)/b25-18-
InChIKeyXKYGAGYTWAVRLY-BWAHOGKJSA-N
MW447.39 g/mol
LogP4.98
Rot. Bonds4

About 7-hydroxy-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide

7-hydroxy-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide (PubChem CID 135631666) has the molecular formula C20H12F3N3O4S and a molecular weight of 447.39 g/mol. Its IUPAC name is 7-hydroxy-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide
PubChem CID135631666
Molecular FormulaC20H12F3N3O4S
Molecular Weight447.39 g/mol
Exact Mass447.05
IUPAC Name7-hydroxy-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H12F3N3O4S/c21-20(22,23)30-14-5-2-12(3-6-14)25-18-15(17(28)26-19-24-7-8-31-19)9-11-1-4-13(27)10-16(11)29-18/h1-10,27H,(H,24,26,28)/b25-18-
InChIKeyXKYGAGYTWAVRLY-BWAHOGKJSA-N
XLogP4.98
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.39
LogP ≤ 54.98
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-(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
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-(2-fluoro-5-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631679
2-(4-fluoro-2-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631668
7-hydroxy-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide
CID 135631507
2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 5085744
2-(4-methylsulfanylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367697
N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 51367685
2-(4-chloro-3-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367699

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide?
The IUPAC name of 7-hydroxy-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide (CID 135631666) is 7-hydroxy-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide.
What is the SMILES notation for 7-hydroxy-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide?
The canonical SMILES for 7-hydroxy-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide is O=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 7-hydroxy-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide?
The InChIKey is XKYGAGYTWAVRLY-BWAHOGKJSA-N. The full InChI is InChI=1S/C20H12F3N3O4S/c21-20(22,23)30-14-5-2-12(3-6-14)25-18-15(17(28)26-19-24-7-8-31-19)9-11-1-4-13(27)10-16(11)29-18/h1-10,27H,(H,24,26,28)/b25-18-.
What are the key properties of 7-hydroxy-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide?
7-hydroxy-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide has a molecular weight of 447.39 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide is sourced from PubChem (CID 135631666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).