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

C13H23N3OS — CID 65273948

IUPAC3-methyl-1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(CNc2nc(C(C)C)ns2)C1
InChIInChI=1S/C13H23N3OS/c1-9(2)11-15-12(18-16-11)14-8-13(17)6-4-5-10(3)7-13/h9-10,17H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyIZLIFZJIXKQQNK-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.01
Rot. Bonds4

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

3-methyl-1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65273948) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 3-methyl-1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65273948
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name3-methyl-1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(CNc2nc(C(C)C)ns2)C1
InChIInChI=1S/C13H23N3OS/c1-9(2)11-15-12(18-16-11)14-8-13(17)6-4-5-10(3)7-13/h9-10,17H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyIZLIFZJIXKQQNK-UHFFFAOYSA-N
XLogP3.01
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.01
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-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol (CID 65273948) is 3-methyl-1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol is CC1CCCC(O)(CNc2nc(C(C)C)ns2)C1.
What is the InChIKey of 3-methyl-1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is IZLIFZJIXKQQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-9(2)11-15-12(18-16-11)14-8-13(17)6-4-5-10(3)7-13/h9-10,17H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 3-methyl-1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol?
3-methyl-1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 269.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65273948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).