2-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol

C9H15N3OS — CID 65274522

IUPAC2-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNc1ncns1
InChIInChI=1S/C9H15N3OS/c13-8-4-2-1-3-7(8)5-10-9-11-6-12-14-9/h6-8,13H,1-5H2,(H,10,11,12)
InChIKeyFEYKUEJWHBWORK-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.50
Rot. Bonds3

About 2-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol

2-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol (PubChem CID 65274522) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol
PubChem CID65274522
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNc1ncns1
InChIInChI=1S/C9H15N3OS/c13-8-4-2-1-3-7(8)5-10-9-11-6-12-14-9/h6-8,13H,1-5H2,(H,10,11,12)
InChIKeyFEYKUEJWHBWORK-UHFFFAOYSA-N
XLogP1.50
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol (CID 65274522) is 2-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol is OC1CCCCC1CNc1ncns1.
What is the InChIKey of 2-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is FEYKUEJWHBWORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c13-8-4-2-1-3-7(8)5-10-9-11-6-12-14-9/h6-8,13H,1-5H2,(H,10,11,12).
What are the key properties of 2-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol?
2-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 213.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65274522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).