[1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine

C10H17N3S — CID 130544637

IUPAC[1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine
SMILESCc1nnc(C2(CN)CCCCC2)s1
InChIInChI=1S/C10H17N3S/c1-8-12-13-9(14-8)10(7-11)5-3-2-4-6-10/h2-7,11H2,1H3
InChIKeyAOGVHGGQUPSWAE-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.01
Rot. Bonds2

About [1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine

[1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine (PubChem CID 130544637) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is [1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine
PubChem CID130544637
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name[1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine
SMILESCc1nnc(C2(CN)CCCCC2)s1
InChIInChI=1S/C10H17N3S/c1-8-12-13-9(14-8)10(7-11)5-3-2-4-6-10/h2-7,11H2,1H3
InChIKeyAOGVHGGQUPSWAE-UHFFFAOYSA-N
XLogP2.01
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine (CID 130544637) is [1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine is Cc1nnc(C2(CN)CCCCC2)s1.
What is the InChIKey of [1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine?
The InChIKey is AOGVHGGQUPSWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8-12-13-9(14-8)10(7-11)5-3-2-4-6-10/h2-7,11H2,1H3.
What are the key properties of [1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine?
[1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine has a molecular weight of 211.33 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 130544637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).