N-[5-fluoro-3-[5-fluoro-2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C28H26F2N6O2S2 — CID 139573518

IUPACN-[5-fluoro-3-[5-fluoro-2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCc1c(NC(=O)c2nc3c(s2)CNCC3)cc(F)cc1-c1cc(F)cc(NC(=O)c2nc3c(s2)CNCC3)c1C
InChIInChI=1S/C28H26F2N6O2S2/c1-13-17(7-15(29)9-21(13)33-25(37)27-35-19-3-5-31-11-23(19)39-27)18-8-16(30)10-22(14(18)2)34-26(38)28-36-20-4-6-32-12-24(20)40-28/h7-10,31-32H,3-6,11-12H2,1-2H3,(H,33,37)(H,34,38)
InChIKeyUIIYNNXUQVKWIB-UHFFFAOYSA-N
MW580.69 g/mol
LogP4.96
Rot. Bonds5

About N-[5-fluoro-3-[5-fluoro-2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[5-fluoro-3-[5-fluoro-2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 139573518) has the molecular formula C28H26F2N6O2S2 and a molecular weight of 580.69 g/mol. Its IUPAC name is N-[5-fluoro-3-[5-fluoro-2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-3-[5-fluoro-2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID139573518
Molecular FormulaC28H26F2N6O2S2
Molecular Weight580.69 g/mol
Exact Mass580.15
IUPAC NameN-[5-fluoro-3-[5-fluoro-2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCc1c(NC(=O)c2nc3c(s2)CNCC3)cc(F)cc1-c1cc(F)cc(NC(=O)c2nc3c(s2)CNCC3)c1C
InChIInChI=1S/C28H26F2N6O2S2/c1-13-17(7-15(29)9-21(13)33-25(37)27-35-19-3-5-31-11-23(19)39-27)18-8-16(30)10-22(14(18)2)34-26(38)28-36-20-4-6-32-12-24(20)40-28/h7-10,31-32H,3-6,11-12H2,1-2H3,(H,33,37)(H,34,38)
InChIKeyUIIYNNXUQVKWIB-UHFFFAOYSA-N
XLogP4.96
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.69
LogP ≤ 54.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[5-fluoro-3-[5-fluoro-2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-3-[5-fluoro-2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[5-fluoro-3-[5-fluoro-2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 139573518) is N-[5-fluoro-3-[5-fluoro-2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-fluoro-3-[5-fluoro-2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[5-fluoro-3-[5-fluoro-2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is Cc1c(NC(=O)c2nc3c(s2)CNCC3)cc(F)cc1-c1cc(F)cc(NC(=O)c2nc3c(s2)CNCC3)c1C.
What is the InChIKey of N-[5-fluoro-3-[5-fluoro-2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is UIIYNNXUQVKWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N6O2S2/c1-13-17(7-15(29)9-21(13)33-25(37)27-35-19-3-5-31-11-23(19)39-27)18-8-16(30)10-22(14(18)2)34-26(38)28-36-20-4-6-32-12-24(20)40-28/h7-10,31-32H,3-6,11-12H2,1-2H3,(H,33,37)(H,34,38).
What are the key properties of N-[5-fluoro-3-[5-fluoro-2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-[5-fluoro-3-[5-fluoro-2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 580.69 g/mol, XLogP of 4.96, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-3-[5-fluoro-2-methyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonylamino)phenyl]-2-methylphenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 139573518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).