2-[cyclohexyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol

C11H19N3OS — CID 65273334

IUPAC2-[cyclohexyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCc1nsc(N(CCO)C2CCCCC2)n1
InChIInChI=1S/C11H19N3OS/c1-9-12-11(16-13-9)14(7-8-15)10-5-3-2-4-6-10/h10,15H,2-8H2,1H3
InChIKeyKCFBGUBVFKRDCR-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.98
Rot. Bonds4

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

2-[cyclohexyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol (PubChem CID 65273334) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[cyclohexyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
PubChem CID65273334
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-[cyclohexyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCc1nsc(N(CCO)C2CCCCC2)n1
InChIInChI=1S/C11H19N3OS/c1-9-12-11(16-13-9)14(7-8-15)10-5-3-2-4-6-10/h10,15H,2-8H2,1H3
InChIKeyKCFBGUBVFKRDCR-UHFFFAOYSA-N
XLogP1.98
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The IUPAC name of 2-[cyclohexyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol (CID 65273334) is 2-[cyclohexyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[cyclohexyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol is Cc1nsc(N(CCO)C2CCCCC2)n1.
What is the InChIKey of 2-[cyclohexyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The InChIKey is KCFBGUBVFKRDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-9-12-11(16-13-9)14(7-8-15)10-5-3-2-4-6-10/h10,15H,2-8H2,1H3.
What are the key properties of 2-[cyclohexyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
2-[cyclohexyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol has a molecular weight of 241.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol is sourced from PubChem (CID 65273334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).