N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide

C20H12F3N3O2S — CID 51367685

IUPACN-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1ccccc1C(F)(F)F
InChIInChI=1S/C20H12F3N3O2S/c21-20(22,23)14-6-2-3-7-15(14)25-18-13(17(27)26-19-24-9-10-29-19)11-12-5-1-4-8-16(12)28-18/h1-11H,(H,24,26,27)/b25-18-
InChIKeyHFSBQNDQLJJHFR-BWAHOGKJSA-N
MW415.40 g/mol
LogP5.39
Rot. Bonds3

About N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide

N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide (PubChem CID 51367685) has the molecular formula C20H12F3N3O2S and a molecular weight of 415.40 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
PubChem CID51367685
Molecular FormulaC20H12F3N3O2S
Molecular Weight415.40 g/mol
Exact Mass415.06
IUPAC NameN-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1ccccc1C(F)(F)F
InChIInChI=1S/C20H12F3N3O2S/c21-20(22,23)14-6-2-3-7-15(14)25-18-13(17(27)26-19-24-9-10-29-19)11-12-5-1-4-8-16(12)28-18/h1-11H,(H,24,26,27)/b25-18-
InChIKeyHFSBQNDQLJJHFR-BWAHOGKJSA-N
XLogP5.39
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.40
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367701
2-(2-fluoro-4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367687
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
6-bromo-2-(2-chlorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 4049008
2-(4-chloro-3-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367699
2-(2-fluorophenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367722
2-(2-fluoro-5-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631679
8-methoxy-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 4248633
7-hydroxy-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide
CID 135631666
2-(4-fluoro-2-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631668
2-(2,5-difluorophenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367635

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide (CID 51367685) is N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide is O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1ccccc1C(F)(F)F.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The InChIKey is HFSBQNDQLJJHFR-BWAHOGKJSA-N. The full InChI is InChI=1S/C20H12F3N3O2S/c21-20(22,23)14-6-2-3-7-15(14)25-18-13(17(27)26-19-24-9-10-29-19)11-12-5-1-4-8-16(12)28-18/h1-11H,(H,24,26,27)/b25-18-.
What are the key properties of N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide has a molecular weight of 415.40 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide is sourced from PubChem (CID 51367685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).