[(2R)-thiolan-2-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanone

C14H15F3N2OS — CID 162402825

IUPAC[(2R)-thiolan-2-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanone
SMILESO=C(C1CN(c2ccc(C(F)(F)F)cn2)C1)[C@H]1CCCS1
InChIInChI=1S/C14H15F3N2OS/c15-14(16,17)10-3-4-12(18-6-10)19-7-9(8-19)13(20)11-2-1-5-21-11/h3-4,6,9,11H,1-2,5,7-8H2/t11-/m1/s1
InChIKeyNQDZJUYFRCLMQO-LLVKDONJSA-N
MW316.35 g/mol
LogP3.00
Rot. Bonds3

About [(2R)-thiolan-2-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanone

[(2R)-thiolan-2-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanone (PubChem CID 162402825) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is [(2R)-thiolan-2-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-thiolan-2-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanone
PubChem CID162402825
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name[(2R)-thiolan-2-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanone
SMILESO=C(C1CN(c2ccc(C(F)(F)F)cn2)C1)[C@H]1CCCS1
InChIInChI=1S/C14H15F3N2OS/c15-14(16,17)10-3-4-12(18-6-10)19-7-9(8-19)13(20)11-2-1-5-21-11/h3-4,6,9,11H,1-2,5,7-8H2/t11-/m1/s1
InChIKeyNQDZJUYFRCLMQO-LLVKDONJSA-N
XLogP3.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Thiazolidinone, 2-(2,6-difluorophenyl)-3-(2-pyridinyl)-
CID 486675
1-(1-(3-(Trifluoromethyl)pyridin-2-yl)pyrrolidin-3-yl)ethanone
CID 119103615
1-(1-(4-(Trifluoromethyl)pyridin-2-yl)pyrrolidin-3-yl)ethanone
CID 119103616
3-[5-(Trifluoromethyl)pyridin-2-yl]-1,3-thiazolidin-4-one
CID 54270466
2-(cyclobutylmethylsulfanyl)-2-methyl-N-[5-(trifluoromethyl)pyridin-2-yl]propanamide
CID 59703929
S-[[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]methyl] ethanethioate
CID 87284988
3-[(2S)-1-[5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-2-yl]propanethioic S-acid
CID 87284989
S-[[1-[5-(trifluoromethyl)-2-pyridinyl]-2H-pyridin-6-yl]methyl] ethanethioate
CID 87284990
S-[2-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]ethyl] ethanethioate
CID 87285127
3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanethioic S-acid
CID 91062992
4-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]butanethioic S-acid
CID 91104151
1-[6-(3,3-Difluoroazetidin-1-yl)pyridin-3-yl]propan-2-one
CID 118396879

Frequently Asked Questions

What is the IUPAC name of [(2R)-thiolan-2-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanone?
The IUPAC name of [(2R)-thiolan-2-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanone (CID 162402825) is [(2R)-thiolan-2-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanone.
What is the SMILES notation for [(2R)-thiolan-2-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanone?
The canonical SMILES for [(2R)-thiolan-2-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanone is O=C(C1CN(c2ccc(C(F)(F)F)cn2)C1)[C@H]1CCCS1.
What is the InChIKey of [(2R)-thiolan-2-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanone?
The InChIKey is NQDZJUYFRCLMQO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c15-14(16,17)10-3-4-12(18-6-10)19-7-9(8-19)13(20)11-2-1-5-21-11/h3-4,6,9,11H,1-2,5,7-8H2/t11-/m1/s1.
What are the key properties of [(2R)-thiolan-2-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanone?
[(2R)-thiolan-2-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanone has a molecular weight of 316.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-thiolan-2-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanone is sourced from PubChem (CID 162402825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).