2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclopentan-1-ol

C14H16FN3OS — CID 86805533

IUPAC2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclopentan-1-ol
SMILESOC1CCCC1Nc1nnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C14H16FN3OS/c15-10-6-4-9(5-7-10)8-13-17-18-14(20-13)16-11-2-1-3-12(11)19/h4-7,11-12,19H,1-3,8H2,(H,16,18)
InChIKeyBOGYFKQQSVBXPP-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.59
Rot. Bonds4

About 2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclopentan-1-ol

2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclopentan-1-ol (PubChem CID 86805533) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclopentan-1-ol
PubChem CID86805533
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclopentan-1-ol
SMILESOC1CCCC1Nc1nnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C14H16FN3OS/c15-10-6-4-9(5-7-10)8-13-17-18-14(20-13)16-11-2-1-3-12(11)19/h4-7,11-12,19H,1-3,8H2,(H,16,18)
InChIKeyBOGYFKQQSVBXPP-UHFFFAOYSA-N
XLogP2.59
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclopentan-1-ol?
The IUPAC name of 2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclopentan-1-ol (CID 86805533) is 2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclopentan-1-ol.
What is the SMILES notation for 2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclopentan-1-ol?
The canonical SMILES for 2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclopentan-1-ol is OC1CCCC1Nc1nnc(Cc2ccc(F)cc2)s1.
What is the InChIKey of 2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclopentan-1-ol?
The InChIKey is BOGYFKQQSVBXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c15-10-6-4-9(5-7-10)8-13-17-18-14(20-13)16-11-2-1-3-12(11)19/h4-7,11-12,19H,1-3,8H2,(H,16,18).
What are the key properties of 2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclopentan-1-ol?
2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclopentan-1-ol has a molecular weight of 293.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 86805533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).