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

C23H21N5O3S — CID 42322592

IUPAC2,4-dimethyl-N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCc2nc(-c3cccc(NC(=O)c4ccccn4)c3)oc2C)s1
InChIInChI=1S/C23H21N5O3S/c1-13-20(32-15(3)26-13)22(30)25-12-19-14(2)31-23(28-19)16-7-6-8-17(11-16)27-21(29)18-9-4-5-10-24-18/h4-11H,12H2,1-3H3,(H,25,30)(H,27,29)
InChIKeyCTDSTNZKICWUKE-UHFFFAOYSA-N
MW447.52 g/mol
LogP4.30
Rot. Bonds6

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

2,4-dimethyl-N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 42322592) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is 2,4-dimethyl-N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID42322592
Molecular FormulaC23H21N5O3S
Molecular Weight447.52 g/mol
Exact Mass447.14
IUPAC Name2,4-dimethyl-N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCc2nc(-c3cccc(NC(=O)c4ccccn4)c3)oc2C)s1
InChIInChI=1S/C23H21N5O3S/c1-13-20(32-15(3)26-13)22(30)25-12-19-14(2)31-23(28-19)16-7-6-8-17(11-16)27-21(29)18-9-4-5-10-24-18/h4-11H,12H2,1-3H3,(H,25,30)(H,27,29)
InChIKeyCTDSTNZKICWUKE-UHFFFAOYSA-N
XLogP4.30
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-1,3-thiazole-5-carboxamide (CID 42322592) is 2,4-dimethyl-N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCc2nc(-c3cccc(NC(=O)c4ccccn4)c3)oc2C)s1.
What is the InChIKey of 2,4-dimethyl-N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is CTDSTNZKICWUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S/c1-13-20(32-15(3)26-13)22(30)25-12-19-14(2)31-23(28-19)16-7-6-8-17(11-16)27-21(29)18-9-4-5-10-24-18/h4-11H,12H2,1-3H3,(H,25,30)(H,27,29).
What are the key properties of 2,4-dimethyl-N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 447.52 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[[5-methyl-2-[3-(pyridine-2-carbonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42322592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).