N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

C64H62FN9O6S3 — CID 123758743

IUPACN-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cc(OC(C)C)cc(C)c1-c1csc(NC(=O)c2ccnc(F)c2)n1.Cc1cc(OC(C)C)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1.Cc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cc1
InChIInChI=1S/C24H21N3O2S.C20H20FN3O2S.C20H21N3O2S/c1-15-4-6-19(7-5-15)29-20-12-16(2)22(17(3)13-20)21-14-30-24(26-21)27-23(28)18-8-10-25-11-9-18;1-11(2)26-15-7-12(3)18(13(4)8-15)16-10-27-20(23-16)24-19(25)14-5-6-22-17(21)9-14;1-12(2)25-16-9-13(3)18(14(4)10-16)17-11-26-20(22-17)23-19(24)15-5-7-21-8-6-15/h4-14H,1-3H3,(H,26,27,28);5-11H,1-4H3,(H,23,24,25);5-12H,1-4H3,(H,22,23,24)
InChIKeyYOWFZFSRYFFLCI-UHFFFAOYSA-N
MW1168.46 g/mol
LogP16.04
Rot. Bonds15

About N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 123758743) has the molecular formula C64H62FN9O6S3 and a molecular weight of 1168.46 g/mol. Its IUPAC name is N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID123758743
Molecular FormulaC64H62FN9O6S3
Molecular Weight1168.46 g/mol
Exact Mass1167.40
IUPAC NameN-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cc(OC(C)C)cc(C)c1-c1csc(NC(=O)c2ccnc(F)c2)n1.Cc1cc(OC(C)C)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1.Cc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cc1
InChIInChI=1S/C24H21N3O2S.C20H20FN3O2S.C20H21N3O2S/c1-15-4-6-19(7-5-15)29-20-12-16(2)22(17(3)13-20)21-14-30-24(26-21)27-23(28)18-8-10-25-11-9-18;1-11(2)26-15-7-12(3)18(13(4)8-15)16-10-27-20(23-16)24-19(25)14-5-6-22-17(21)9-14;1-12(2)25-16-9-13(3)18(14(4)10-16)17-11-26-20(22-17)23-19(24)15-5-7-21-8-6-15/h4-14H,1-3H3,(H,26,27,28);5-11H,1-4H3,(H,23,24,25);5-12H,1-4H3,(H,22,23,24)
InChIKeyYOWFZFSRYFFLCI-UHFFFAOYSA-N
XLogP16.04
TPSA192.33 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001168.46
LogP ≤ 516.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 123758743) is N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is Cc1cc(OC(C)C)cc(C)c1-c1csc(NC(=O)c2ccnc(F)c2)n1.Cc1cc(OC(C)C)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1.Cc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cc1.
What is the InChIKey of N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is YOWFZFSRYFFLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S.C20H20FN3O2S.C20H21N3O2S/c1-15-4-6-19(7-5-15)29-20-12-16(2)22(17(3)13-20)21-14-30-24(26-21)27-23(28)18-8-10-25-11-9-18;1-11(2)26-15-7-12(3)18(13(4)8-15)16-10-27-20(23-16)24-19(25)14-5-6-22-17(21)9-14;1-12(2)25-16-9-13(3)18(14(4)10-16)17-11-26-20(22-17)23-19(24)15-5-7-21-8-6-15/h4-14H,1-3H3,(H,26,27,28);5-11H,1-4H3,(H,23,24,25);5-12H,1-4H3,(H,22,23,24).
What are the key properties of N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 1168.46 g/mol, XLogP of 16.04, 15 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide;N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 123758743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).