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

C9H15N3S — CID 83880222

IUPAC5-cyclohexyl-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(C2CCCCC2)s1
InChIInChI=1S/C9H15N3S/c1-10-9-12-11-8(13-9)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,10,12)
InChIKeyJZSAWHHOSNTDRF-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.63
Rot. Bonds2

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

5-cyclohexyl-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 83880222) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 5-cyclohexyl-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclohexyl-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID83880222
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name5-cyclohexyl-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(C2CCCCC2)s1
InChIInChI=1S/C9H15N3S/c1-10-9-12-11-8(13-9)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,10,12)
InChIKeyJZSAWHHOSNTDRF-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclohexyl-N-methyl-1,3,4-thiadiazol-2-amine (CID 83880222) is 5-cyclohexyl-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclohexyl-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclohexyl-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(C2CCCCC2)s1.
What is the InChIKey of 5-cyclohexyl-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is JZSAWHHOSNTDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-10-9-12-11-8(13-9)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,10,12).
What are the key properties of 5-cyclohexyl-N-methyl-1,3,4-thiadiazol-2-amine?
5-cyclohexyl-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 197.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 83880222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).