N-(thiadiazol-4-ylmethyl)cyclohexanamine

C9H15N3S — CID 43663791

IUPACN-(thiadiazol-4-ylmethyl)cyclohexanamine
SMILESc1snnc1CNC1CCCCC1
InChIInChI=1S/C9H15N3S/c1-2-4-8(5-3-1)10-6-9-7-13-12-11-9/h7-8,10H,1-6H2
InChIKeyKZYIEQOHHDOCTP-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.96
Rot. Bonds3

About N-(thiadiazol-4-ylmethyl)cyclohexanamine

N-(thiadiazol-4-ylmethyl)cyclohexanamine (PubChem CID 43663791) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-(thiadiazol-4-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(thiadiazol-4-ylmethyl)cyclohexanamine
PubChem CID43663791
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-(thiadiazol-4-ylmethyl)cyclohexanamine
SMILESc1snnc1CNC1CCCCC1
InChIInChI=1S/C9H15N3S/c1-2-4-8(5-3-1)10-6-9-7-13-12-11-9/h7-8,10H,1-6H2
InChIKeyKZYIEQOHHDOCTP-UHFFFAOYSA-N
XLogP1.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-4-ylmethyl)cyclohexanamine?
The IUPAC name of N-(thiadiazol-4-ylmethyl)cyclohexanamine (CID 43663791) is N-(thiadiazol-4-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-(thiadiazol-4-ylmethyl)cyclohexanamine?
The canonical SMILES for N-(thiadiazol-4-ylmethyl)cyclohexanamine is c1snnc1CNC1CCCCC1.
What is the InChIKey of N-(thiadiazol-4-ylmethyl)cyclohexanamine?
The InChIKey is KZYIEQOHHDOCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-2-4-8(5-3-1)10-6-9-7-13-12-11-9/h7-8,10H,1-6H2.
What are the key properties of N-(thiadiazol-4-ylmethyl)cyclohexanamine?
N-(thiadiazol-4-ylmethyl)cyclohexanamine has a molecular weight of 197.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-4-ylmethyl)cyclohexanamine is sourced from PubChem (CID 43663791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).