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

C23H24N2O3S — CID 71292938

IUPAC2-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1cccc(C)c1C1CCc2cc(Oc3ncc(C(=O)N(C)C)s3)ccc2O1
InChIInChI=1S/C23H24N2O3S/c1-14-6-5-7-15(2)21(14)19-10-8-16-12-17(9-11-18(16)28-19)27-23-24-13-20(29-23)22(26)25(3)4/h5-7,9,11-13,19H,8,10H2,1-4H3
InChIKeyMFWCLDSCJVBTKF-UHFFFAOYSA-N
MW408.52 g/mol
LogP5.32
Rot. Bonds4

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

2-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 71292938) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID71292938
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name2-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1cccc(C)c1C1CCc2cc(Oc3ncc(C(=O)N(C)C)s3)ccc2O1
InChIInChI=1S/C23H24N2O3S/c1-14-6-5-7-15(2)21(14)19-10-8-16-12-17(9-11-18(16)28-19)27-23-24-13-20(29-23)22(26)25(3)4/h5-7,9,11-13,19H,8,10H2,1-4H3
InChIKeyMFWCLDSCJVBTKF-UHFFFAOYSA-N
XLogP5.32
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide (CID 71292938) is 2-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide is Cc1cccc(C)c1C1CCc2cc(Oc3ncc(C(=O)N(C)C)s3)ccc2O1.
What is the InChIKey of 2-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is MFWCLDSCJVBTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-14-6-5-7-15(2)21(14)19-10-8-16-12-17(9-11-18(16)28-19)27-23-24-13-20(29-23)22(26)25(3)4/h5-7,9,11-13,19H,8,10H2,1-4H3.
What are the key properties of 2-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide?
2-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N,N-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71292938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).