3-methyl-N-(6-pyridin-2-yloxy-2-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide

C23H17N7O2S — CID 118278899

IUPAC3-methyl-N-(6-pyridin-2-yloxy-2-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
SMILESCc1nsc(Nc2cnc3ccccc3n2)c1C(=O)Nc1cccc(Oc2ccccn2)n1
InChIInChI=1S/C23H17N7O2S/c1-14-21(23(33-30-14)29-18-13-25-15-7-2-3-8-16(15)26-18)22(31)28-17-9-6-11-20(27-17)32-19-10-4-5-12-24-19/h2-13H,1H3,(H,26,29)(H,27,28,31)
InChIKeyDWQOZJJVEOVRPV-UHFFFAOYSA-N
MW455.50 g/mol
LogP4.97
Rot. Bonds6

About 3-methyl-N-(6-pyridin-2-yloxy-2-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide

3-methyl-N-(6-pyridin-2-yloxy-2-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide (PubChem CID 118278899) has the molecular formula C23H17N7O2S and a molecular weight of 455.50 g/mol. Its IUPAC name is 3-methyl-N-(6-pyridin-2-yloxy-2-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(6-pyridin-2-yloxy-2-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
PubChem CID118278899
Molecular FormulaC23H17N7O2S
Molecular Weight455.50 g/mol
Exact Mass455.12
IUPAC Name3-methyl-N-(6-pyridin-2-yloxy-2-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
SMILESCc1nsc(Nc2cnc3ccccc3n2)c1C(=O)Nc1cccc(Oc2ccccn2)n1
InChIInChI=1S/C23H17N7O2S/c1-14-21(23(33-30-14)29-18-13-25-15-7-2-3-8-16(15)26-18)22(31)28-17-9-6-11-20(27-17)32-19-10-4-5-12-24-19/h2-13H,1H3,(H,26,29)(H,27,28,31)
InChIKeyDWQOZJJVEOVRPV-UHFFFAOYSA-N
XLogP4.97
TPSA114.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.50
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-pyridin-2-yloxy-2-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-N-(6-pyridin-2-yloxy-2-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide (CID 118278899) is 3-methyl-N-(6-pyridin-2-yloxy-2-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(6-pyridin-2-yloxy-2-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-(6-pyridin-2-yloxy-2-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide is Cc1nsc(Nc2cnc3ccccc3n2)c1C(=O)Nc1cccc(Oc2ccccn2)n1.
What is the InChIKey of 3-methyl-N-(6-pyridin-2-yloxy-2-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is DWQOZJJVEOVRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7O2S/c1-14-21(23(33-30-14)29-18-13-25-15-7-2-3-8-16(15)26-18)22(31)28-17-9-6-11-20(27-17)32-19-10-4-5-12-24-19/h2-13H,1H3,(H,26,29)(H,27,28,31).
What are the key properties of 3-methyl-N-(6-pyridin-2-yloxy-2-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide?
3-methyl-N-(6-pyridin-2-yloxy-2-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 455.50 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6-pyridin-2-yloxy-2-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 118278899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).