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

C11H19N3OS — CID 65272776

IUPAC3-methyl-1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1nsc(NCC2(O)CCCC(C)C2)n1
InChIInChI=1S/C11H19N3OS/c1-8-4-3-5-11(15,6-8)7-12-10-13-9(2)14-16-10/h8,15H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyKUJBRVXJJZPQAY-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.20
Rot. Bonds3

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

3-methyl-1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65272776) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-methyl-1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65272776
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3-methyl-1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1nsc(NCC2(O)CCCC(C)C2)n1
InChIInChI=1S/C11H19N3OS/c1-8-4-3-5-11(15,6-8)7-12-10-13-9(2)14-16-10/h8,15H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyKUJBRVXJJZPQAY-UHFFFAOYSA-N
XLogP2.20
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.20
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-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol (CID 65272776) is 3-methyl-1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol is Cc1nsc(NCC2(O)CCCC(C)C2)n1.
What is the InChIKey of 3-methyl-1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is KUJBRVXJJZPQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8-4-3-5-11(15,6-8)7-12-10-13-9(2)14-16-10/h8,15H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of 3-methyl-1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol?
3-methyl-1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65272776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).