N-cyclohexylthiatriazol-5-amine

C7H12N4S — CID 926144

IUPACN-cyclohexylthiatriazol-5-amine
SMILESC1CCC(Nc2nnns2)CC1
InChIInChI=1S/C7H12N4S/c1-2-4-6(5-3-1)8-7-9-10-11-12-7/h6H,1-5H2,(H,8,9,11)
InChIKeyMFJFDZCBLTXOPI-UHFFFAOYSA-N
MW184.27 g/mol
LogP1.68
Rot. Bonds2

About N-cyclohexylthiatriazol-5-amine

N-cyclohexylthiatriazol-5-amine (PubChem CID 926144) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is N-cyclohexylthiatriazol-5-amine.

Molecular Properties

Compound NameN-cyclohexylthiatriazol-5-amine
PubChem CID926144
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC NameN-cyclohexylthiatriazol-5-amine
SMILESC1CCC(Nc2nnns2)CC1
InChIInChI=1S/C7H12N4S/c1-2-4-6(5-3-1)8-7-9-10-11-12-7/h6H,1-5H2,(H,8,9,11)
InChIKeyMFJFDZCBLTXOPI-UHFFFAOYSA-N
XLogP1.68
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexylthiatriazol-5-amine?
The IUPAC name of N-cyclohexylthiatriazol-5-amine (CID 926144) is N-cyclohexylthiatriazol-5-amine.
What is the SMILES notation for N-cyclohexylthiatriazol-5-amine?
The canonical SMILES for N-cyclohexylthiatriazol-5-amine is C1CCC(Nc2nnns2)CC1.
What is the InChIKey of N-cyclohexylthiatriazol-5-amine?
The InChIKey is MFJFDZCBLTXOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-2-4-6(5-3-1)8-7-9-10-11-12-7/h6H,1-5H2,(H,8,9,11).
What are the key properties of N-cyclohexylthiatriazol-5-amine?
N-cyclohexylthiatriazol-5-amine has a molecular weight of 184.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylthiatriazol-5-amine is sourced from PubChem (CID 926144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).