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

C25H24N4O3S — CID 71509770

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide
SMILESCc1c(CNC(=O)c2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)cnn1C
InChIInChI=1S/C25H24N4O3S/c1-16-19(14-28-29(16)2)13-26-24(30)23-15-27-25(33-23)31-20-9-11-22-18(12-20)8-10-21(32-22)17-6-4-3-5-7-17/h3-7,9,11-12,14-15,21H,8,10,13H2,1-2H3,(H,26,30)
InChIKeySZXRJWBLACXTIR-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.97
Rot. Bonds6

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide (PubChem CID 71509770) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide
PubChem CID71509770
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide
SMILESCc1c(CNC(=O)c2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)cnn1C
InChIInChI=1S/C25H24N4O3S/c1-16-19(14-28-29(16)2)13-26-24(30)23-15-27-25(33-23)31-20-9-11-22-18(12-20)8-10-21(32-22)17-6-4-3-5-7-17/h3-7,9,11-12,14-15,21H,8,10,13H2,1-2H3,(H,26,30)
InChIKeySZXRJWBLACXTIR-UHFFFAOYSA-N
XLogP4.97
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide (CID 71509770) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide is Cc1c(CNC(=O)c2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
The InChIKey is SZXRJWBLACXTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-16-19(14-28-29(16)2)13-26-24(30)23-15-27-25(33-23)31-20-9-11-22-18(12-20)8-10-21(32-22)17-6-4-3-5-7-17/h3-7,9,11-12,14-15,21H,8,10,13H2,1-2H3,(H,26,30).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71509770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).