N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,3-thiazole-4-carboxamide

C15H17N3O3S — CID 91787934

IUPACN-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(O[C@H]2CCOC[C@H]2NC(=O)c2cscn2)cn1
InChIInChI=1S/C15H17N3O3S/c1-10-2-3-11(6-16-10)21-14-4-5-20-7-12(14)18-15(19)13-8-22-9-17-13/h2-3,6,8-9,12,14H,4-5,7H2,1H3,(H,18,19)/t12-,14+/m1/s1
InChIKeyVNWSOYPLANAXLJ-OCCSQVGLSA-N
MW319.39 g/mol
LogP1.81
Rot. Bonds4

About N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,3-thiazole-4-carboxamide

N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 91787934) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID91787934
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(O[C@H]2CCOC[C@H]2NC(=O)c2cscn2)cn1
InChIInChI=1S/C15H17N3O3S/c1-10-2-3-11(6-16-10)21-14-4-5-20-7-12(14)18-15(19)13-8-22-9-17-13/h2-3,6,8-9,12,14H,4-5,7H2,1H3,(H,18,19)/t12-,14+/m1/s1
InChIKeyVNWSOYPLANAXLJ-OCCSQVGLSA-N
XLogP1.81
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,3-thiazole-4-carboxamide (CID 91787934) is N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,3-thiazole-4-carboxamide is Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)c2cscn2)cn1.
What is the InChIKey of N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is VNWSOYPLANAXLJ-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-10-2-3-11(6-16-10)21-14-4-5-20-7-12(14)18-15(19)13-8-22-9-17-13/h2-3,6,8-9,12,14H,4-5,7H2,1H3,(H,18,19)/t12-,14+/m1/s1.
What are the key properties of N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,3-thiazole-4-carboxamide?
N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91787934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).