N-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-4-methyloxane-4-carboxamide

C15H16FN3O3S — CID 167327139

IUPACN-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-4-methyloxane-4-carboxamide
SMILESCC1(C(=O)Nc2ncc(Oc3cncc(F)c3)s2)CCOCC1
InChIInChI=1S/C15H16FN3O3S/c1-15(2-4-21-5-3-15)13(20)19-14-18-9-12(23-14)22-11-6-10(16)7-17-8-11/h6-9H,2-5H2,1H3,(H,18,19,20)
InChIKeyAEZHKWINGDDNOK-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.22
Rot. Bonds4

About N-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-4-methyloxane-4-carboxamide

N-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-4-methyloxane-4-carboxamide (PubChem CID 167327139) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-4-methyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-4-methyloxane-4-carboxamide
PubChem CID167327139
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC NameN-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-4-methyloxane-4-carboxamide
SMILESCC1(C(=O)Nc2ncc(Oc3cncc(F)c3)s2)CCOCC1
InChIInChI=1S/C15H16FN3O3S/c1-15(2-4-21-5-3-15)13(20)19-14-18-9-12(23-14)22-11-6-10(16)7-17-8-11/h6-9H,2-5H2,1H3,(H,18,19,20)
InChIKeyAEZHKWINGDDNOK-UHFFFAOYSA-N
XLogP3.22
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-4-methyloxane-4-carboxamide?
The IUPAC name of N-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-4-methyloxane-4-carboxamide (CID 167327139) is N-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-4-methyloxane-4-carboxamide.
What is the SMILES notation for N-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-4-methyloxane-4-carboxamide?
The canonical SMILES for N-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-4-methyloxane-4-carboxamide is CC1(C(=O)Nc2ncc(Oc3cncc(F)c3)s2)CCOCC1.
What is the InChIKey of N-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-4-methyloxane-4-carboxamide?
The InChIKey is AEZHKWINGDDNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-15(2-4-21-5-3-15)13(20)19-14-18-9-12(23-14)22-11-6-10(16)7-17-8-11/h6-9H,2-5H2,1H3,(H,18,19,20).
What are the key properties of N-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-4-methyloxane-4-carboxamide?
N-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-4-methyloxane-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-4-methyloxane-4-carboxamide is sourced from PubChem (CID 167327139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).