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

C24H22N4O3S — CID 71292754

IUPACN-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
InChIInChI=1S/C24H22N4O3S/c29-23(16-28-12-4-11-27-28)25-14-20-15-26-24(32-20)30-19-8-10-22-18(13-19)7-9-21(31-22)17-5-2-1-3-6-17/h1-6,8,10-13,15,21H,7,9,14,16H2,(H,25,29)
InChIKeySKFNEFCUIPOFGW-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.51
Rot. Bonds7

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

N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide (PubChem CID 71292754) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide
PubChem CID71292754
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
InChIInChI=1S/C24H22N4O3S/c29-23(16-28-12-4-11-27-28)25-14-20-15-26-24(32-20)30-19-8-10-22-18(13-19)7-9-21(31-22)17-5-2-1-3-6-17/h1-6,8,10-13,15,21H,7,9,14,16H2,(H,25,29)
InChIKeySKFNEFCUIPOFGW-UHFFFAOYSA-N
XLogP4.51
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide (CID 71292754) is N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)NCc1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1.
What is the InChIKey of N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide?
The InChIKey is SKFNEFCUIPOFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c29-23(16-28-12-4-11-27-28)25-14-20-15-26-24(32-20)30-19-8-10-22-18(13-19)7-9-21(31-22)17-5-2-1-3-6-17/h1-6,8,10-13,15,21H,7,9,14,16H2,(H,25,29).
What are the key properties of N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide?
N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide has a molecular weight of 446.53 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 71292754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).