N-(6-pyridin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide

C14H10N4O2S — CID 141468421

IUPACN-(6-pyridin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Oc2cccnc2)nc1)c1cnsc1
InChIInChI=1S/C14H10N4O2S/c19-14(10-6-17-21-9-10)18-11-3-4-13(16-7-11)20-12-2-1-5-15-8-12/h1-9H,(H,18,19)
InChIKeyNPMSHHSQXOIWMY-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.98
Rot. Bonds4

About N-(6-pyridin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide

N-(6-pyridin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide (PubChem CID 141468421) has the molecular formula C14H10N4O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is N-(6-pyridin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-pyridin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide
PubChem CID141468421
Molecular FormulaC14H10N4O2S
Molecular Weight298.33 g/mol
Exact Mass298.05
IUPAC NameN-(6-pyridin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Oc2cccnc2)nc1)c1cnsc1
InChIInChI=1S/C14H10N4O2S/c19-14(10-6-17-21-9-10)18-11-3-4-13(16-7-11)20-12-2-1-5-15-8-12/h1-9H,(H,18,19)
InChIKeyNPMSHHSQXOIWMY-UHFFFAOYSA-N
XLogP2.98
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-pyridin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide?
The IUPAC name of N-(6-pyridin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide (CID 141468421) is N-(6-pyridin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-(6-pyridin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-(6-pyridin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide is O=C(Nc1ccc(Oc2cccnc2)nc1)c1cnsc1.
What is the InChIKey of N-(6-pyridin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide?
The InChIKey is NPMSHHSQXOIWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2S/c19-14(10-6-17-21-9-10)18-11-3-4-13(16-7-11)20-12-2-1-5-15-8-12/h1-9H,(H,18,19).
What are the key properties of N-(6-pyridin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide?
N-(6-pyridin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide has a molecular weight of 298.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-pyridin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 141468421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).