1-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol

C12H21N3O2S — CID 75442214

IUPAC1-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
SMILESCOCCc1nsc(NCC2(O)CCCCC2)n1
InChIInChI=1S/C12H21N3O2S/c1-17-8-5-10-14-11(18-15-10)13-9-12(16)6-3-2-4-7-12/h16H,2-9H2,1H3,(H,13,14,15)
InChIKeyIWWJZGLCKXSQHD-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.83
Rot. Bonds6

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

1-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 75442214) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
PubChem CID75442214
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
SMILESCOCCc1nsc(NCC2(O)CCCCC2)n1
InChIInChI=1S/C12H21N3O2S/c1-17-8-5-10-14-11(18-15-10)13-9-12(16)6-3-2-4-7-12/h16H,2-9H2,1H3,(H,13,14,15)
InChIKeyIWWJZGLCKXSQHD-UHFFFAOYSA-N
XLogP1.83
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol (CID 75442214) is 1-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol is COCCc1nsc(NCC2(O)CCCCC2)n1.
What is the InChIKey of 1-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is IWWJZGLCKXSQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-17-8-5-10-14-11(18-15-10)13-9-12(16)6-3-2-4-7-12/h16H,2-9H2,1H3,(H,13,14,15).
What are the key properties of 1-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol?
1-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 271.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 75442214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).