[2-(2,6-dimethylmorpholin-4-yl)-3,4-difluoro-5-(thiadiazol-5-yl)phenyl]methanol

C15H17F2N3O2S — CID 87764020

IUPAC[2-(2,6-dimethylmorpholin-4-yl)-3,4-difluoro-5-(thiadiazol-5-yl)phenyl]methanol
SMILESCC1CN(c2c(CO)cc(-c3cnns3)c(F)c2F)CC(C)O1
InChIInChI=1S/C15H17F2N3O2S/c1-8-5-20(6-9(2)22-8)15-10(7-21)3-11(13(16)14(15)17)12-4-18-19-23-12/h3-4,8-9,21H,5-7H2,1-2H3
InChIKeyJWXHHYJEEGOGSP-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.59
Rot. Bonds3

About [2-(2,6-dimethylmorpholin-4-yl)-3,4-difluoro-5-(thiadiazol-5-yl)phenyl]methanol

[2-(2,6-dimethylmorpholin-4-yl)-3,4-difluoro-5-(thiadiazol-5-yl)phenyl]methanol (PubChem CID 87764020) has the molecular formula C15H17F2N3O2S and a molecular weight of 341.38 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)-3,4-difluoro-5-(thiadiazol-5-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)-3,4-difluoro-5-(thiadiazol-5-yl)phenyl]methanol
PubChem CID87764020
Molecular FormulaC15H17F2N3O2S
Molecular Weight341.38 g/mol
Exact Mass341.10
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)-3,4-difluoro-5-(thiadiazol-5-yl)phenyl]methanol
SMILESCC1CN(c2c(CO)cc(-c3cnns3)c(F)c2F)CC(C)O1
InChIInChI=1S/C15H17F2N3O2S/c1-8-5-20(6-9(2)22-8)15-10(7-21)3-11(13(16)14(15)17)12-4-18-19-23-12/h3-4,8-9,21H,5-7H2,1-2H3
InChIKeyJWXHHYJEEGOGSP-UHFFFAOYSA-N
XLogP2.59
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,6-dimethylmorpholin-4-yl)-3,4-difluoro-5-[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]phenyl]methanol
CID 87764031
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,4-difluorophenyl]methanol
CID 67376655
3-[4-(2,6-dimethylmorpholin-4-yl)-2,3-difluoro-5-(hydroxymethyl)phenyl]propanoic acid
CID 91527245
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(1,3-thiazol-5-yl)-1,2-benzoxazol-5-yl]methanol
CID 67358745
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrimidin-2-yl-1,2-benzoxazol-5-yl]methanol
CID 67358403
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N,N-dimethyl-1,2-benzoxazole-3-carboxamide
CID 67358081
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-ethyl-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazole-3-carboxamide
CID 67359591
[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(pyridin-4-ylmethylamino)-1,2-benzoxazol-5-yl]methanol
CID 77275764
[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1-methylimidazol-4-yl)-1,2-benzoxazol-5-yl]methanol
CID 77272708
[4-(2,6-dimethylmorpholin-4-yl)-6-methyl-3-pyridinyl]methanol
CID 81239032
1-[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazole-3-carbonyl]azetidine-3-carbonitrile
CID 77272578
2-(2,6-dimethylmorpholin-4-yl)-3,4-difluoro-5-(1,3,4-thiadiazol-2-yl)benzaldehyde
CID 87772207

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-3,4-difluoro-5-(thiadiazol-5-yl)phenyl]methanol?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-3,4-difluoro-5-(thiadiazol-5-yl)phenyl]methanol (CID 87764020) is [2-(2,6-dimethylmorpholin-4-yl)-3,4-difluoro-5-(thiadiazol-5-yl)phenyl]methanol.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)-3,4-difluoro-5-(thiadiazol-5-yl)phenyl]methanol?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)-3,4-difluoro-5-(thiadiazol-5-yl)phenyl]methanol is CC1CN(c2c(CO)cc(-c3cnns3)c(F)c2F)CC(C)O1.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)-3,4-difluoro-5-(thiadiazol-5-yl)phenyl]methanol?
The InChIKey is JWXHHYJEEGOGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2S/c1-8-5-20(6-9(2)22-8)15-10(7-21)3-11(13(16)14(15)17)12-4-18-19-23-12/h3-4,8-9,21H,5-7H2,1-2H3.
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)-3,4-difluoro-5-(thiadiazol-5-yl)phenyl]methanol?
[2-(2,6-dimethylmorpholin-4-yl)-3,4-difluoro-5-(thiadiazol-5-yl)phenyl]methanol has a molecular weight of 341.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylmorpholin-4-yl)-3,4-difluoro-5-(thiadiazol-5-yl)phenyl]methanol is sourced from PubChem (CID 87764020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).