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

C10H17N3OS — CID 65273723

IUPAC4-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNc2ncns2)CC1
InChIInChI=1S/C10H17N3OS/c1-8-2-4-10(14,5-3-8)6-11-9-12-7-13-15-9/h7-8,14H,2-6H2,1H3,(H,11,12,13)
InChIKeyWDULXVFJOHAMQY-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.89
Rot. Bonds3

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

4-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol (PubChem CID 65273723) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol
PubChem CID65273723
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNc2ncns2)CC1
InChIInChI=1S/C10H17N3OS/c1-8-2-4-10(14,5-3-8)6-11-9-12-7-13-15-9/h7-8,14H,2-6H2,1H3,(H,11,12,13)
InChIKeyWDULXVFJOHAMQY-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol (CID 65273723) is 4-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol is CC1CCC(O)(CNc2ncns2)CC1.
What is the InChIKey of 4-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is WDULXVFJOHAMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-8-2-4-10(14,5-3-8)6-11-9-12-7-13-15-9/h7-8,14H,2-6H2,1H3,(H,11,12,13).
What are the key properties of 4-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol?
4-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 4-methyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65273723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).