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

C13H23N3OS — CID 65274003

IUPAC3-methyl-1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol
SMILESCCCc1nsc(NCC2(O)CCCC(C)C2)n1
InChIInChI=1S/C13H23N3OS/c1-3-5-11-15-12(18-16-11)14-9-13(17)7-4-6-10(2)8-13/h10,17H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyDFIONNPSYIRLDS-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.84
Rot. Bonds5

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

3-methyl-1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65274003) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 3-methyl-1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65274003
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name3-methyl-1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol
SMILESCCCc1nsc(NCC2(O)CCCC(C)C2)n1
InChIInChI=1S/C13H23N3OS/c1-3-5-11-15-12(18-16-11)14-9-13(17)7-4-6-10(2)8-13/h10,17H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyDFIONNPSYIRLDS-UHFFFAOYSA-N
XLogP2.84
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol (CID 65274003) is 3-methyl-1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol is CCCc1nsc(NCC2(O)CCCC(C)C2)n1.
What is the InChIKey of 3-methyl-1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is DFIONNPSYIRLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-5-11-15-12(18-16-11)14-9-13(17)7-4-6-10(2)8-13/h10,17H,3-9H2,1-2H3,(H,14,15,16).
What are the key properties of 3-methyl-1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol?
3-methyl-1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 269.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65274003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).