2-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)guanidine

C9H15N5S — CID 14140369

IUPAC2-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)guanidine
SMILESNC(N)=Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C9H15N5S/c10-8(11)12-9-14-13-7(15-9)6-4-2-1-3-5-6/h6H,1-5H2,(H4,10,11,12,14)
InChIKeyIPXRXQQQJZDGQB-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.49
Rot. Bonds2

About 2-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)guanidine

2-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)guanidine (PubChem CID 14140369) has the molecular formula C9H15N5S and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)guanidine.

Molecular Properties

Compound Name2-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)guanidine
PubChem CID14140369
Molecular FormulaC9H15N5S
Molecular Weight225.32 g/mol
Exact Mass225.10
IUPAC Name2-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)guanidine
SMILESNC(N)=Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C9H15N5S/c10-8(11)12-9-14-13-7(15-9)6-4-2-1-3-5-6/h6H,1-5H2,(H4,10,11,12,14)
InChIKeyIPXRXQQQJZDGQB-UHFFFAOYSA-N
XLogP1.49
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)guanidine?
The IUPAC name of 2-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)guanidine (CID 14140369) is 2-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)guanidine.
What is the SMILES notation for 2-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)guanidine?
The canonical SMILES for 2-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)guanidine is NC(N)=Nc1nnc(C2CCCCC2)s1.
What is the InChIKey of 2-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)guanidine?
The InChIKey is IPXRXQQQJZDGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5S/c10-8(11)12-9-14-13-7(15-9)6-4-2-1-3-5-6/h6H,1-5H2,(H4,10,11,12,14).
What are the key properties of 2-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)guanidine?
2-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)guanidine has a molecular weight of 225.32 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)guanidine is sourced from PubChem (CID 14140369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).