2-(3-methylpyrazol-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide

C25H24N4O3S — CID 71292793

IUPAC2-(3-methylpyrazol-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide
SMILESCc1ccn(CC(=O)NCc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)n1
InChIInChI=1S/C25H24N4O3S/c1-17-11-12-29(28-17)16-24(30)26-14-21-15-27-25(33-21)31-20-8-10-23-19(13-20)7-9-22(32-23)18-5-3-2-4-6-18/h2-6,8,10-13,15,22H,7,9,14,16H2,1H3,(H,26,30)
InChIKeyFONOCWYCRXVZSH-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.82
Rot. Bonds7

About 2-(3-methylpyrazol-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide

2-(3-methylpyrazol-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide (PubChem CID 71292793) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is 2-(3-methylpyrazol-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-methylpyrazol-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide
PubChem CID71292793
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Name2-(3-methylpyrazol-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide
SMILESCc1ccn(CC(=O)NCc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)n1
InChIInChI=1S/C25H24N4O3S/c1-17-11-12-29(28-17)16-24(30)26-14-21-15-27-25(33-21)31-20-8-10-23-19(13-20)7-9-22(32-23)18-5-3-2-4-6-18/h2-6,8,10-13,15,22H,7,9,14,16H2,1H3,(H,26,30)
InChIKeyFONOCWYCRXVZSH-UHFFFAOYSA-N
XLogP4.82
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanamine
CID 71292755
1-(1,5-dimethylpyrazol-3-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine
CID 71292769
2-(2-oxopyrrolidin-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide
CID 71292836
3-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1,2-oxazol-5-amine
CID 71292848
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanamine
CID 71292888
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanamine
CID 71292950
2-(3,5-dimethylpyrazol-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]ethanamine
CID 71292965
1-(1,5-dimethylpyrazol-4-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]ethanamine
CID 71292966
2-(3-methylpyrazol-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]ethanamine
CID 71292995
1-(2,5-dimethylpyrazol-3-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]methanamine
CID 71292999
N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-2-pyridin-2-ylacetamide
CID 71293030
N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 71293086

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrazol-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(3-methylpyrazol-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide (CID 71292793) is 2-(3-methylpyrazol-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-methylpyrazol-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(3-methylpyrazol-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide is Cc1ccn(CC(=O)NCc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)n1.
What is the InChIKey of 2-(3-methylpyrazol-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide?
The InChIKey is FONOCWYCRXVZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-17-11-12-29(28-17)16-24(30)26-14-21-15-27-25(33-21)31-20-8-10-23-19(13-20)7-9-22(32-23)18-5-3-2-4-6-18/h2-6,8,10-13,15,22H,7,9,14,16H2,1H3,(H,26,30).
What are the key properties of 2-(3-methylpyrazol-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide?
2-(3-methylpyrazol-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide has a molecular weight of 460.56 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrazol-1-yl)-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 71292793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).