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

C11H19N3OS — CID 106128094

IUPAC3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol
SMILESCCCc1nsc(NCC2CCC(O)C2)n1
InChIInChI=1S/C11H19N3OS/c1-2-3-10-13-11(16-14-10)12-7-8-4-5-9(15)6-8/h8-9,15H,2-7H2,1H3,(H,12,13,14)
InChIKeyCWEQLSOELQBKTN-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.06
Rot. Bonds5

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

3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 106128094) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol
PubChem CID106128094
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol
SMILESCCCc1nsc(NCC2CCC(O)C2)n1
InChIInChI=1S/C11H19N3OS/c1-2-3-10-13-11(16-14-10)12-7-8-4-5-9(15)6-8/h8-9,15H,2-7H2,1H3,(H,12,13,14)
InChIKeyCWEQLSOELQBKTN-UHFFFAOYSA-N
XLogP2.06
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol (CID 106128094) is 3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol is CCCc1nsc(NCC2CCC(O)C2)n1.
What is the InChIKey of 3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is CWEQLSOELQBKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-2-3-10-13-11(16-14-10)12-7-8-4-5-9(15)6-8/h8-9,15H,2-7H2,1H3,(H,12,13,14).
What are the key properties of 3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol?
3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106128094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).