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

C13H23N3OS — CID 65275338

IUPAC2-[cyclohexyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCCCc1nsc(N(CCO)C2CCCCC2)n1
InChIInChI=1S/C13H23N3OS/c1-2-6-12-14-13(18-15-12)16(9-10-17)11-7-4-3-5-8-11/h11,17H,2-10H2,1H3
InChIKeyLZRAEYFNFLNVHR-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.62
Rot. Bonds6

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

2-[cyclohexyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol (PubChem CID 65275338) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-[cyclohexyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol
PubChem CID65275338
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2-[cyclohexyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCCCc1nsc(N(CCO)C2CCCCC2)n1
InChIInChI=1S/C13H23N3OS/c1-2-6-12-14-13(18-15-12)16(9-10-17)11-7-4-3-5-8-11/h11,17H,2-10H2,1H3
InChIKeyLZRAEYFNFLNVHR-UHFFFAOYSA-N
XLogP2.62
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The IUPAC name of 2-[cyclohexyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol (CID 65275338) is 2-[cyclohexyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[cyclohexyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol is CCCc1nsc(N(CCO)C2CCCCC2)n1.
What is the InChIKey of 2-[cyclohexyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The InChIKey is LZRAEYFNFLNVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-2-6-12-14-13(18-15-12)16(9-10-17)11-7-4-3-5-8-11/h11,17H,2-10H2,1H3.
What are the key properties of 2-[cyclohexyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
2-[cyclohexyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol has a molecular weight of 269.41 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol is sourced from PubChem (CID 65275338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).