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

C11H19N3OS — CID 65274061

IUPAC4-ethyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2ncns2)CC1
InChIInChI=1S/C11H19N3OS/c1-2-9-3-5-11(15,6-4-9)7-12-10-13-8-14-16-10/h8-9,15H,2-7H2,1H3,(H,12,13,14)
InChIKeyQCEHDQDUTNPLAI-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.28
Rot. Bonds4

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

4-ethyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol (PubChem CID 65274061) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-ethyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol
PubChem CID65274061
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-ethyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2ncns2)CC1
InChIInChI=1S/C11H19N3OS/c1-2-9-3-5-11(15,6-4-9)7-12-10-13-8-14-16-10/h8-9,15H,2-7H2,1H3,(H,12,13,14)
InChIKeyQCEHDQDUTNPLAI-UHFFFAOYSA-N
XLogP2.28
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol (CID 65274061) is 4-ethyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol is CCC1CCC(O)(CNc2ncns2)CC1.
What is the InChIKey of 4-ethyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is QCEHDQDUTNPLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-2-9-3-5-11(15,6-4-9)7-12-10-13-8-14-16-10/h8-9,15H,2-7H2,1H3,(H,12,13,14).
What are the key properties of 4-ethyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol?
4-ethyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65274061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).