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

C21H14F3N3O3S — CID 4248633

IUPAC8-methoxy-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cccc(C(F)(F)F)c3)oc12
InChIInChI=1S/C21H14F3N3O3S/c1-29-16-7-2-4-12-10-15(18(28)27-20-25-8-9-31-20)19(30-17(12)16)26-14-6-3-5-13(11-14)21(22,23)24/h2-11H,1H3,(H,25,27,28)/b26-19-
InChIKeyCMTNDZJPRDLENH-XHPQRKPJSA-N
MW445.42 g/mol
LogP5.40
Rot. Bonds4

About 8-methoxy-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide

8-methoxy-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide (PubChem CID 4248633) has the molecular formula C21H14F3N3O3S and a molecular weight of 445.42 g/mol. Its IUPAC name is 8-methoxy-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
PubChem CID4248633
Molecular FormulaC21H14F3N3O3S
Molecular Weight445.42 g/mol
Exact Mass445.07
IUPAC Name8-methoxy-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cccc(C(F)(F)F)c3)oc12
InChIInChI=1S/C21H14F3N3O3S/c1-29-16-7-2-4-12-10-15(18(28)27-20-25-8-9-31-20)19(30-17(12)16)26-14-6-3-5-13(11-14)21(22,23)24/h2-11H,1H3,(H,25,27,28)/b26-19-
InChIKeyCMTNDZJPRDLENH-XHPQRKPJSA-N
XLogP5.40
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.42
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-methoxy-N-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 51367160
2-(4-fluoro-3-methylphenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367650
8-methoxy-N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 51367608
2-(2,5-difluorophenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367635
2-(3,4-dimethylphenyl)imino-8-ethoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 4050935
6-bromo-2-(3-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367489
8-methoxy-2-(3-methylphenyl)imino-N-(4-phenyl-1,3-thiazol-2-yl)chromene-3-carboxamide
CID 3993915
8-methoxy-2-(4-methylphenyl)imino-N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)chromene-3-carboxamide
CID 3144319
8-methoxy-2-(3-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367581
2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631681
N-(1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 51367685
6-bromo-2-(3,5-dimethoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367492

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The IUPAC name of 8-methoxy-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide (CID 4248633) is 8-methoxy-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The canonical SMILES for 8-methoxy-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cccc(C(F)(F)F)c3)oc12.
What is the InChIKey of 8-methoxy-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
The InChIKey is CMTNDZJPRDLENH-XHPQRKPJSA-N. The full InChI is InChI=1S/C21H14F3N3O3S/c1-29-16-7-2-4-12-10-15(18(28)27-20-25-8-9-31-20)19(30-17(12)16)26-14-6-3-5-13(11-14)21(22,23)24/h2-11H,1H3,(H,25,27,28)/b26-19-.
What are the key properties of 8-methoxy-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide?
8-methoxy-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide has a molecular weight of 445.42 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide is sourced from PubChem (CID 4248633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).