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

C26H24N4O3S — CID 91754765

IUPACN-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)nc(CNC(=O)c2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)n1
InChIInChI=1S/C26H24N4O3S/c1-16-12-17(2)30-24(29-16)15-27-25(31)23-14-28-26(34-23)32-20-9-11-22-19(13-20)8-10-21(33-22)18-6-4-3-5-7-18/h3-7,9,11-14,21H,8,10,15H2,1-2H3,(H,27,31)
InChIKeyYZSFBKZRPAPCTF-UHFFFAOYSA-N
MW472.57 g/mol
LogP5.34
Rot. Bonds6

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

N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide (PubChem CID 91754765) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide
PubChem CID91754765
Molecular FormulaC26H24N4O3S
Molecular Weight472.57 g/mol
Exact Mass472.16
IUPAC NameN-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)nc(CNC(=O)c2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)n1
InChIInChI=1S/C26H24N4O3S/c1-16-12-17(2)30-24(29-16)15-27-25(31)23-14-28-26(34-23)32-20-9-11-22-19(13-20)8-10-21(33-22)18-6-4-3-5-7-18/h3-7,9,11-14,21H,8,10,15H2,1-2H3,(H,27,31)
InChIKeyYZSFBKZRPAPCTF-UHFFFAOYSA-N
XLogP5.34
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.57
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide (CID 91754765) is N-[(4,6-dimethylpyrimidin-2-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-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide is Cc1cc(C)nc(CNC(=O)c2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)n1.
What is the InChIKey of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
The InChIKey is YZSFBKZRPAPCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S/c1-16-12-17(2)30-24(29-16)15-27-25(31)23-14-28-26(34-23)32-20-9-11-22-19(13-20)8-10-21(33-22)18-6-4-3-5-7-18/h3-7,9,11-14,21H,8,10,15H2,1-2H3,(H,27,31).
What are the key properties of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide?
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethylpyrimidin-2-yl)methyl]-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91754765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).