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

C10H17N3OS — CID 65273947

IUPAC3-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(CNc2ncns2)C1
InChIInChI=1S/C10H17N3OS/c1-8-3-2-4-10(14,5-8)6-11-9-12-7-13-15-9/h7-8,14H,2-6H2,1H3,(H,11,12,13)
InChIKeyBEZLIDVPODYCRD-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.89
Rot. Bonds3

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

3-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol (PubChem CID 65273947) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol
PubChem CID65273947
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(CNc2ncns2)C1
InChIInChI=1S/C10H17N3OS/c1-8-3-2-4-10(14,5-8)6-11-9-12-7-13-15-9/h7-8,14H,2-6H2,1H3,(H,11,12,13)
InChIKeyBEZLIDVPODYCRD-UHFFFAOYSA-N
XLogP1.89
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
CID 107305008
3-Methyl-1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol
CID 65272776
4-Methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol
CID 65273723
4,4-Dimethyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol
CID 65273835
1-[[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65273946
3-Methyl-1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol
CID 65273948
1-[[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65274002
3-Methyl-1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol
CID 65274003
1-[[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65274004
4-Ethyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol
CID 65274061
1-[(1,2,4-Thiadiazol-5-ylamino)methyl]cycloheptan-1-ol
CID 65274180
1-[(1,2,4-Thiadiazol-5-ylamino)methyl]cyclopentan-1-ol
CID 65274465

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol (CID 65273947) is 3-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol is CC1CCCC(O)(CNc2ncns2)C1.
What is the InChIKey of 3-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is BEZLIDVPODYCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-8-3-2-4-10(14,5-8)6-11-9-12-7-13-15-9/h7-8,14H,2-6H2,1H3,(H,11,12,13).
What are the key properties of 3-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol?
3-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 227.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65273947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).