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

C20H12F3N3O2S — CID 5085750

IUPACN-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H12F3N3O2S/c21-20(22,23)13-5-3-6-14(11-13)25-18-15(17(27)26-19-24-8-9-29-19)10-12-4-1-2-7-16(12)28-18/h1-11H,(H,24,26,27)/b25-18-
InChIKeyMNNFSCMHFGILLN-BWAHOGKJSA-N
MW415.40 g/mol
LogP5.39
Rot. Bonds3

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

N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide (PubChem CID 5085750) 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-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
PubChem CID5085750
Molecular FormulaC20H12F3N3O2S
Molecular Weight415.40 g/mol
Exact Mass415.06
IUPAC NameN-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H12F3N3O2S/c21-20(22,23)13-5-3-6-14(11-13)25-18-15(17(27)26-19-24-8-9-29-19)10-12-4-1-2-7-16(12)28-18/h1-11H,(H,24,26,27)/b25-18-
InChIKeyMNNFSCMHFGILLN-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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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide (CID 5085750) is N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide is O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The InChIKey is MNNFSCMHFGILLN-BWAHOGKJSA-N. The full InChI is InChI=1S/C20H12F3N3O2S/c21-20(22,23)13-5-3-6-14(11-13)25-18-15(17(27)26-19-24-8-9-29-19)10-12-4-1-2-7-16(12)28-18/h1-11H,(H,24,26,27)/b25-18-.
What are the key properties of N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
N-(1,3-thiazol-2-yl)-2-[3-(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-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide is sourced from PubChem (CID 5085750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).