N-cyclohexyl-3-methyl-1,2,4-thiadiazol-5-amine

C9H15N3S — CID 12725102

IUPACN-cyclohexyl-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2CCCCC2)n1
InChIInChI=1S/C9H15N3S/c1-7-10-9(13-12-7)11-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,10,11,12)
InChIKeyZASVXDQSJGWRFO-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.59
Rot. Bonds2

About N-cyclohexyl-3-methyl-1,2,4-thiadiazol-5-amine

N-cyclohexyl-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 12725102) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID12725102
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-cyclohexyl-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2CCCCC2)n1
InChIInChI=1S/C9H15N3S/c1-7-10-9(13-12-7)11-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,10,11,12)
InChIKeyZASVXDQSJGWRFO-UHFFFAOYSA-N
XLogP2.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cyclohexyl-3-methyl-1,2,4-thiadiazol-5-amine (CID 12725102) is N-cyclohexyl-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cyclohexyl-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cyclohexyl-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is ZASVXDQSJGWRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7-10-9(13-12-7)11-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,10,11,12).
What are the key properties of N-cyclohexyl-3-methyl-1,2,4-thiadiazol-5-amine?
N-cyclohexyl-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 197.31 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 12725102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).