N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide

C22H19N5O3S2 — CID 42328230

IUPACN-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
SMILESCSc1nc(C(=O)NCc2nc(-c3cccc(NC(=O)c4ccccn4)c3)oc2C)cs1
InChIInChI=1S/C22H19N5O3S2/c1-13-17(11-24-19(28)18-12-32-22(27-18)31-2)26-21(30-13)14-6-5-7-15(10-14)25-20(29)16-8-3-4-9-23-16/h3-10,12H,11H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyPPRAQPYZXIDPHM-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.41
Rot. Bonds7

About N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide

N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide (PubChem CID 42328230) has the molecular formula C22H19N5O3S2 and a molecular weight of 465.56 g/mol. Its IUPAC name is N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
PubChem CID42328230
Molecular FormulaC22H19N5O3S2
Molecular Weight465.56 g/mol
Exact Mass465.09
IUPAC NameN-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
SMILESCSc1nc(C(=O)NCc2nc(-c3cccc(NC(=O)c4ccccn4)c3)oc2C)cs1
InChIInChI=1S/C22H19N5O3S2/c1-13-17(11-24-19(28)18-12-32-22(27-18)31-2)26-21(30-13)14-6-5-7-15(10-14)25-20(29)16-8-3-4-9-23-16/h3-10,12H,11H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyPPRAQPYZXIDPHM-UHFFFAOYSA-N
XLogP4.41
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide (CID 42328230) is N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide is CSc1nc(C(=O)NCc2nc(-c3cccc(NC(=O)c4ccccn4)c3)oc2C)cs1.
What is the InChIKey of N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide?
The InChIKey is PPRAQPYZXIDPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S2/c1-13-17(11-24-19(28)18-12-32-22(27-18)31-2)26-21(30-13)14-6-5-7-15(10-14)25-20(29)16-8-3-4-9-23-16/h3-10,12H,11H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide?
N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide has a molecular weight of 465.56 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42328230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).