4-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide

C20H19N3O2S — CID 56762733

IUPAC4-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H19N3O2S/c24-18(20(9-12-25-13-10-20)15-6-2-1-3-7-15)23-19-22-17(14-26-19)16-8-4-5-11-21-16/h1-8,11,14H,9-10,12-13H2,(H,22,23,24)
InChIKeyMRMGAIKDRHDZBB-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.89
Rot. Bonds4

About 4-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide

4-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide (PubChem CID 56762733) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide
PubChem CID56762733
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name4-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H19N3O2S/c24-18(20(9-12-25-13-10-20)15-6-2-1-3-7-15)23-19-22-17(14-26-19)16-8-4-5-11-21-16/h1-8,11,14H,9-10,12-13H2,(H,22,23,24)
InChIKeyMRMGAIKDRHDZBB-UHFFFAOYSA-N
XLogP3.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide?
The IUPAC name of 4-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide (CID 56762733) is 4-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide?
The canonical SMILES for 4-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide is O=C(Nc1nc(-c2ccccn2)cs1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide?
The InChIKey is MRMGAIKDRHDZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c24-18(20(9-12-25-13-10-20)15-6-2-1-3-7-15)23-19-22-17(14-26-19)16-8-4-5-11-21-16/h1-8,11,14H,9-10,12-13H2,(H,22,23,24).
What are the key properties of 4-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide?
4-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 56762733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).