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

C9H15N3OS — CID 65274526

IUPAC1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNc2ncns2)CCCCC1
InChIInChI=1S/C9H15N3OS/c13-9(4-2-1-3-5-9)6-10-8-11-7-12-14-8/h7,13H,1-6H2,(H,10,11,12)
InChIKeyHHKYOODAXCOBOL-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.65
Rot. Bonds3

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

1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol (PubChem CID 65274526) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol
PubChem CID65274526
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNc2ncns2)CCCCC1
InChIInChI=1S/C9H15N3OS/c13-9(4-2-1-3-5-9)6-10-8-11-7-12-14-8/h7,13H,1-6H2,(H,10,11,12)
InChIKeyHHKYOODAXCOBOL-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol (CID 65274526) is 1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol is OC1(CNc2ncns2)CCCCC1.
What is the InChIKey of 1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is HHKYOODAXCOBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c13-9(4-2-1-3-5-9)6-10-8-11-7-12-14-8/h7,13H,1-6H2,(H,10,11,12).
What are the key properties of 1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol?
1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 213.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65274526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).