2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide

C22H21FN2O3S — CID 71292860

IUPAC2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(F)cc1C1CCc2cc(Oc3ncc(C(=O)N(C)C)s3)ccc2O1
InChIInChI=1S/C22H21FN2O3S/c1-13-4-6-15(23)11-17(13)19-8-5-14-10-16(7-9-18(14)28-19)27-22-24-12-20(29-22)21(26)25(2)3/h4,6-7,9-12,19H,5,8H2,1-3H3
InChIKeyJSLQAVZAEALJHI-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.15
Rot. Bonds4

About 2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide

2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 71292860) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID71292860
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC Name2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(F)cc1C1CCc2cc(Oc3ncc(C(=O)N(C)C)s3)ccc2O1
InChIInChI=1S/C22H21FN2O3S/c1-13-4-6-15(23)11-17(13)19-8-5-14-10-16(7-9-18(14)28-19)27-22-24-12-20(29-22)21(26)25(2)3/h4,6-7,9-12,19H,5,8H2,1-3H3
InChIKeyJSLQAVZAEALJHI-UHFFFAOYSA-N
XLogP5.15
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide (CID 71292860) is 2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide is Cc1ccc(F)cc1C1CCc2cc(Oc3ncc(C(=O)N(C)C)s3)ccc2O1.
What is the InChIKey of 2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is JSLQAVZAEALJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S/c1-13-4-6-15(23)11-17(13)19-8-5-14-10-16(7-9-18(14)28-19)27-22-24-12-20(29-22)21(26)25(2)3/h4,6-7,9-12,19H,5,8H2,1-3H3.
What are the key properties of 2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide?
2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71292860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).