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

C9H15N3OS — CID 65267855

IUPAC4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
SMILESCc1nsc(NC2CCC(O)CC2)n1
InChIInChI=1S/C9H15N3OS/c1-6-10-9(14-12-6)11-7-2-4-8(13)5-3-7/h7-8,13H,2-5H2,1H3,(H,10,11,12)
InChIKeyFFGSJLJUYWLLID-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.56
Rot. Bonds2

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

4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol (PubChem CID 65267855) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
PubChem CID65267855
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
SMILESCc1nsc(NC2CCC(O)CC2)n1
InChIInChI=1S/C9H15N3OS/c1-6-10-9(14-12-6)11-7-2-4-8(13)5-3-7/h7-8,13H,2-5H2,1H3,(H,10,11,12)
InChIKeyFFGSJLJUYWLLID-UHFFFAOYSA-N
XLogP1.56
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol (CID 65267855) is 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol is Cc1nsc(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol?
The InChIKey is FFGSJLJUYWLLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6-10-9(14-12-6)11-7-2-4-8(13)5-3-7/h7-8,13H,2-5H2,1H3,(H,10,11,12).
What are the key properties of 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol?
4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol has a molecular weight of 213.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 65267855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).