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

C12H21N3OS — CID 102636027

IUPAC2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
SMILESCC(C)c1nsc(N(C)C2CCCCC2O)n1
InChIInChI=1S/C12H21N3OS/c1-8(2)11-13-12(17-14-11)15(3)9-6-4-5-7-10(9)16/h8-10,16H,4-7H2,1-3H3
InChIKeyUEFOXXOTJSLSEI-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.40
Rot. Bonds3

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

2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol (PubChem CID 102636027) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
PubChem CID102636027
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
SMILESCC(C)c1nsc(N(C)C2CCCCC2O)n1
InChIInChI=1S/C12H21N3OS/c1-8(2)11-13-12(17-14-11)15(3)9-6-4-5-7-10(9)16/h8-10,16H,4-7H2,1-3H3
InChIKeyUEFOXXOTJSLSEI-UHFFFAOYSA-N
XLogP2.40
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol (CID 102636027) is 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol is CC(C)c1nsc(N(C)C2CCCCC2O)n1.
What is the InChIKey of 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol?
The InChIKey is UEFOXXOTJSLSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8(2)11-13-12(17-14-11)15(3)9-6-4-5-7-10(9)16/h8-10,16H,4-7H2,1-3H3.
What are the key properties of 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol?
2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol has a molecular weight of 255.39 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 102636027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).