[1,3]thiazolo[5,4-b]pyridin-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone

C16H10F3N3O2S — CID 138993028

IUPAC[1,3]thiazolo[5,4-b]pyridin-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
SMILESO=C(c1nc2cccnc2s1)N1CCOc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C16H10F3N3O2S/c17-16(18,19)9-3-4-12-11(8-9)22(6-7-24-12)15(23)14-21-10-2-1-5-20-13(10)25-14/h1-5,8H,6-7H2
InChIKeyLUKVTNQWOOZYMK-UHFFFAOYSA-N
MW365.34 g/mol
LogP3.75
Rot. Bonds1

About [1,3]thiazolo[5,4-b]pyridin-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone

[1,3]thiazolo[5,4-b]pyridin-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone (PubChem CID 138993028) has the molecular formula C16H10F3N3O2S and a molecular weight of 365.34 g/mol. Its IUPAC name is [1,3]thiazolo[5,4-b]pyridin-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone.

Molecular Properties

Compound Name[1,3]thiazolo[5,4-b]pyridin-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
PubChem CID138993028
Molecular FormulaC16H10F3N3O2S
Molecular Weight365.34 g/mol
Exact Mass365.04
IUPAC Name[1,3]thiazolo[5,4-b]pyridin-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
SMILESO=C(c1nc2cccnc2s1)N1CCOc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C16H10F3N3O2S/c17-16(18,19)9-3-4-12-11(8-9)22(6-7-24-12)15(23)14-21-10-2-1-5-20-13(10)25-14/h1-5,8H,6-7H2
InChIKeyLUKVTNQWOOZYMK-UHFFFAOYSA-N
XLogP3.75
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxy-1-[(2R)-2-[2-[6-(trifluoromethyl)pyridin-3-yl]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
CID 25122716
2-phenoxy-1-[(2R)-2-[2-[5-(trifluoromethyl)pyridin-2-yl]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
CID 67356466
2-(2-fluorophenoxy)-N-(3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)propanamide
CID 43955395
4-methoxy-7-methyl-N-(6-methyl-3-pyridinyl)-1,3-benzothiazole-2-carboxamide
CID 56592909
4-methoxy-7-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazole-2-carboxamide
CID 56592944
[4-(2-Methoxyphenyl)piperazin-1-yl]-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone
CID 127047399
2-phenoxy-N-(3-(thiazolo[5,4-b]pyridin-2-yl)phenyl)acetamide
CID 5160449
4-methoxy-7-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 56592913
4-methoxy-7-methyl-N-(6-methyl-3-pyridinyl)-1,3-benzothiazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 56592939
Benzo[d]thiazol-2-yl(4-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)methanone
CID 71798750
2-[4-[2-[4-(Trifluoromethyl)piperidin-1-yl]ethoxy]phenoxy]-[1,3]thiazolo[4,5-c]pyridine
CID 44480545
8-fluoro-6-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4H-1,4-benzoxazin-3-one
CID 57585557

Frequently Asked Questions

What is the IUPAC name of [1,3]thiazolo[5,4-b]pyridin-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone?
The IUPAC name of [1,3]thiazolo[5,4-b]pyridin-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone (CID 138993028) is [1,3]thiazolo[5,4-b]pyridin-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone.
What is the SMILES notation for [1,3]thiazolo[5,4-b]pyridin-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone?
The canonical SMILES for [1,3]thiazolo[5,4-b]pyridin-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone is O=C(c1nc2cccnc2s1)N1CCOc2ccc(C(F)(F)F)cc21.
What is the InChIKey of [1,3]thiazolo[5,4-b]pyridin-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone?
The InChIKey is LUKVTNQWOOZYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O2S/c17-16(18,19)9-3-4-12-11(8-9)22(6-7-24-12)15(23)14-21-10-2-1-5-20-13(10)25-14/h1-5,8H,6-7H2.
What are the key properties of [1,3]thiazolo[5,4-b]pyridin-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone?
[1,3]thiazolo[5,4-b]pyridin-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone has a molecular weight of 365.34 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]thiazolo[5,4-b]pyridin-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone is sourced from PubChem (CID 138993028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).