3-[[5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-2-pyridinyl]oxy]benzamide

C17H16N4O2S — CID 75472563

IUPAC3-[[5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-2-pyridinyl]oxy]benzamide
SMILESCc1nc(CNc2ccc(Oc3cccc(C(N)=O)c3)nc2)cs1
InChIInChI=1S/C17H16N4O2S/c1-11-21-14(10-24-11)9-19-13-5-6-16(20-8-13)23-15-4-2-3-12(7-15)17(18)22/h2-8,10,19H,9H2,1H3,(H2,18,22)
InChIKeyQONOORLJWUWXNN-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.35
Rot. Bonds6

About 3-[[5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-2-pyridinyl]oxy]benzamide

3-[[5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-2-pyridinyl]oxy]benzamide (PubChem CID 75472563) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 3-[[5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound Name3-[[5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-2-pyridinyl]oxy]benzamide
PubChem CID75472563
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name3-[[5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-2-pyridinyl]oxy]benzamide
SMILESCc1nc(CNc2ccc(Oc3cccc(C(N)=O)c3)nc2)cs1
InChIInChI=1S/C17H16N4O2S/c1-11-21-14(10-24-11)9-19-13-5-6-16(20-8-13)23-15-4-2-3-12(7-15)17(18)22/h2-8,10,19H,9H2,1H3,(H2,18,22)
InChIKeyQONOORLJWUWXNN-UHFFFAOYSA-N
XLogP3.35
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-2-pyridinyl]oxy]benzamide?
The IUPAC name of 3-[[5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-2-pyridinyl]oxy]benzamide (CID 75472563) is 3-[[5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for 3-[[5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-2-pyridinyl]oxy]benzamide?
The canonical SMILES for 3-[[5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-2-pyridinyl]oxy]benzamide is Cc1nc(CNc2ccc(Oc3cccc(C(N)=O)c3)nc2)cs1.
What is the InChIKey of 3-[[5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-2-pyridinyl]oxy]benzamide?
The InChIKey is QONOORLJWUWXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-11-21-14(10-24-11)9-19-13-5-6-16(20-8-13)23-15-4-2-3-12(7-15)17(18)22/h2-8,10,19H,9H2,1H3,(H2,18,22).
What are the key properties of 3-[[5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-2-pyridinyl]oxy]benzamide?
3-[[5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-2-pyridinyl]oxy]benzamide has a molecular weight of 340.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 75472563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).