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

C8H14N4OS — CID 66277916

IUPAC1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol
SMILESNc1nsc(NCC2(O)CCCC2)n1
InChIInChI=1S/C8H14N4OS/c9-6-11-7(14-12-6)10-5-8(13)3-1-2-4-8/h13H,1-5H2,(H3,9,10,11,12)
InChIKeyKWFQTLGAPHOQSU-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.84
Rot. Bonds3

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

1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 66277916) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol
PubChem CID66277916
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol
SMILESNc1nsc(NCC2(O)CCCC2)n1
InChIInChI=1S/C8H14N4OS/c9-6-11-7(14-12-6)10-5-8(13)3-1-2-4-8/h13H,1-5H2,(H3,9,10,11,12)
InChIKeyKWFQTLGAPHOQSU-UHFFFAOYSA-N
XLogP0.84
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol (CID 66277916) is 1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol is Nc1nsc(NCC2(O)CCCC2)n1.
What is the InChIKey of 1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is KWFQTLGAPHOQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c9-6-11-7(14-12-6)10-5-8(13)3-1-2-4-8/h13H,1-5H2,(H3,9,10,11,12).
What are the key properties of 1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol?
1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 214.29 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 66277916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).