2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclohexylamino]ethanol

C11H18ClN3OS — CID 80609190

IUPAC2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclohexylamino]ethanol
SMILESOCCN(Cc1nnc(Cl)s1)C1CCCCC1
InChIInChI=1S/C11H18ClN3OS/c12-11-14-13-10(17-11)8-15(6-7-16)9-4-2-1-3-5-9/h9,16H,1-8H2
InChIKeyCVRBTYYIGQRXQI-UHFFFAOYSA-N
MW275.80 g/mol
LogP2.32
Rot. Bonds5

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

2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclohexylamino]ethanol (PubChem CID 80609190) has the molecular formula C11H18ClN3OS and a molecular weight of 275.80 g/mol. Its IUPAC name is 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclohexylamino]ethanol
PubChem CID80609190
Molecular FormulaC11H18ClN3OS
Molecular Weight275.80 g/mol
Exact Mass275.09
IUPAC Name2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclohexylamino]ethanol
SMILESOCCN(Cc1nnc(Cl)s1)C1CCCCC1
InChIInChI=1S/C11H18ClN3OS/c12-11-14-13-10(17-11)8-15(6-7-16)9-4-2-1-3-5-9/h9,16H,1-8H2
InChIKeyCVRBTYYIGQRXQI-UHFFFAOYSA-N
XLogP2.32
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.80
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclohexylamino]ethanol?
The IUPAC name of 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclohexylamino]ethanol (CID 80609190) is 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclohexylamino]ethanol?
The canonical SMILES for 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclohexylamino]ethanol is OCCN(Cc1nnc(Cl)s1)C1CCCCC1.
What is the InChIKey of 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclohexylamino]ethanol?
The InChIKey is CVRBTYYIGQRXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3OS/c12-11-14-13-10(17-11)8-15(6-7-16)9-4-2-1-3-5-9/h9,16H,1-8H2.
What are the key properties of 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclohexylamino]ethanol?
2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclohexylamino]ethanol has a molecular weight of 275.80 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclohexylamino]ethanol is sourced from PubChem (CID 80609190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).