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

C10H17N3OS — CID 65272714

IUPAC1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1nsc(NCC2(O)CCCCC2)n1
InChIInChI=1S/C10H17N3OS/c1-8-12-9(15-13-8)11-7-10(14)5-3-2-4-6-10/h14H,2-7H2,1H3,(H,11,12,13)
InChIKeyKVAYMHFDESCEJV-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.95
Rot. Bonds3

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

1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65272714) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65272714
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1nsc(NCC2(O)CCCCC2)n1
InChIInChI=1S/C10H17N3OS/c1-8-12-9(15-13-8)11-7-10(14)5-3-2-4-6-10/h14H,2-7H2,1H3,(H,11,12,13)
InChIKeyKVAYMHFDESCEJV-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol (CID 65272714) is 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol is Cc1nsc(NCC2(O)CCCCC2)n1.
What is the InChIKey of 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is KVAYMHFDESCEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-8-12-9(15-13-8)11-7-10(14)5-3-2-4-6-10/h14H,2-7H2,1H3,(H,11,12,13).
What are the key properties of 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol?
1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 227.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65272714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).