(3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanol

C9H11F2NOS — CID 130826100

IUPAC(3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanol
SMILESOC(c1ccns1)C1CCC(F)(F)C1
InChIInChI=1S/C9H11F2NOS/c10-9(11)3-1-6(5-9)8(13)7-2-4-12-14-7/h2,4,6,8,13H,1,3,5H2
InChIKeyXNKLYOPGQNXEND-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.61
Rot. Bonds2

About (3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanol

(3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanol (PubChem CID 130826100) has the molecular formula C9H11F2NOS and a molecular weight of 219.26 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanol
PubChem CID130826100
Molecular FormulaC9H11F2NOS
Molecular Weight219.26 g/mol
Exact Mass219.05
IUPAC Name(3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanol
SMILESOC(c1ccns1)C1CCC(F)(F)C1
InChIInChI=1S/C9H11F2NOS/c10-9(11)3-1-6(5-9)8(13)7-2-4-12-14-7/h2,4,6,8,13H,1,3,5H2
InChIKeyXNKLYOPGQNXEND-UHFFFAOYSA-N
XLogP2.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-Difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 164652164
4,4-Difluoro-1-(1,2-thiazol-5-yl)cyclohexan-1-ol
CID 164659228
4,4-Difluoro-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol
CID 165497804
4,4-Difluoro-1-[(1,2-thiazol-5-yl)methyl]cyclohex-2-en-1-ol
CID 165497805
3-Cyclohexyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 59949219
2-Methyl-1-(1,2-thiazol-5-yl)cyclobutan-1-ol
CID 130826090
Cyclopentyl(1,2-thiazol-5-yl)methanol
CID 130826273
2-(1,2-Thiazol-5-yl)cyclohexan-1-ol
CID 130829137
3-(1,2-Thiazol-5-yl)cyclopentan-1-ol
CID 130840886
7-Oxabicyclo[2.2.1]heptan-2-yl(1,2-thiazol-5-yl)methanol
CID 130856150
Thian-3-yl(1,2-thiazol-5-yl)methanol
CID 130871292
(2,2,3,3-Tetramethylcyclopropyl)-(1,2-thiazol-5-yl)methanol
CID 130871295

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanol?
The IUPAC name of (3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanol (CID 130826100) is (3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanol?
The canonical SMILES for (3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanol is OC(c1ccns1)C1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanol?
The InChIKey is XNKLYOPGQNXEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NOS/c10-9(11)3-1-6(5-9)8(13)7-2-4-12-14-7/h2,4,6,8,13H,1,3,5H2.
What are the key properties of (3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanol?
(3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanol has a molecular weight of 219.26 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 130826100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).