N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide

C25H21F2N3O3S — CID 55889883

IUPACN-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)N(Cc3ccccn3)c3ccc(F)cc3F)s2)cc1OC
InChIInChI=1S/C25H21F2N3O3S/c1-15-23(34-24(29-15)16-7-10-21(32-2)22(12-16)33-3)25(31)30(14-18-6-4-5-11-28-18)20-9-8-17(26)13-19(20)27/h4-13H,14H2,1-3H3
InChIKeyBYVBNTCFBXYIMN-UHFFFAOYSA-N
MW481.52 g/mol
LogP5.66
Rot. Bonds7

About N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide

N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 55889883) has the molecular formula C25H21F2N3O3S and a molecular weight of 481.52 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID55889883
Molecular FormulaC25H21F2N3O3S
Molecular Weight481.52 g/mol
Exact Mass481.13
IUPAC NameN-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)N(Cc3ccccn3)c3ccc(F)cc3F)s2)cc1OC
InChIInChI=1S/C25H21F2N3O3S/c1-15-23(34-24(29-15)16-7-10-21(32-2)22(12-16)33-3)25(31)30(14-18-6-4-5-11-28-18)20-9-8-17(26)13-19(20)27/h4-13H,14H2,1-3H3
InChIKeyBYVBNTCFBXYIMN-UHFFFAOYSA-N
XLogP5.66
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.52
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 55889883) is N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide is COc1ccc(-c2nc(C)c(C(=O)N(Cc3ccccn3)c3ccc(F)cc3F)s2)cc1OC.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is BYVBNTCFBXYIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O3S/c1-15-23(34-24(29-15)16-7-10-21(32-2)22(12-16)33-3)25(31)30(14-18-6-4-5-11-28-18)20-9-8-17(26)13-19(20)27/h4-13H,14H2,1-3H3.
What are the key properties of N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 481.52 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55889883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).