N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide

C20H15F2N5OS — CID 167831181

IUPACN-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide
SMILESCc1nccn1-c1ccc(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)cn1
InChIInChI=1S/C20H15F2N5OS/c1-12-23-4-5-27(12)18-3-2-14(10-24-18)19(28)26-20-25-11-17(29-20)8-13-6-15(21)9-16(22)7-13/h2-7,9-11H,8H2,1H3,(H,25,26,28)
InChIKeyAMNBALILYSZDCA-UHFFFAOYSA-N
MW411.44 g/mol
LogP4.15
Rot. Bonds5

About N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide

N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide (PubChem CID 167831181) has the molecular formula C20H15F2N5OS and a molecular weight of 411.44 g/mol. Its IUPAC name is N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide
PubChem CID167831181
Molecular FormulaC20H15F2N5OS
Molecular Weight411.44 g/mol
Exact Mass411.10
IUPAC NameN-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide
SMILESCc1nccn1-c1ccc(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)cn1
InChIInChI=1S/C20H15F2N5OS/c1-12-23-4-5-27(12)18-3-2-14(10-24-18)19(28)26-20-25-11-17(29-20)8-13-6-15(21)9-16(22)7-13/h2-7,9-11H,8H2,1H3,(H,25,26,28)
InChIKeyAMNBALILYSZDCA-UHFFFAOYSA-N
XLogP4.15
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide (CID 167831181) is N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide is Cc1nccn1-c1ccc(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)cn1.
What is the InChIKey of N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide?
The InChIKey is AMNBALILYSZDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5OS/c1-12-23-4-5-27(12)18-3-2-14(10-24-18)19(28)26-20-25-11-17(29-20)8-13-6-15(21)9-16(22)7-13/h2-7,9-11H,8H2,1H3,(H,25,26,28).
What are the key properties of N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide?
N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide has a molecular weight of 411.44 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 167831181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).