3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopropylamino]propanimidamide

C12H21N5S — CID 65272472

IUPAC3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopropylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1nc(C(C)(C)C)ns1)C1CC1
InChIInChI=1S/C12H21N5S/c1-12(2,3)10-15-11(18-16-10)17(8-4-5-8)7-6-9(13)14/h8H,4-7H2,1-3H3,(H3,13,14)
InChIKeyFLZOSWNXNTYRPJ-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.13
Rot. Bonds5

About 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopropylamino]propanimidamide

3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopropylamino]propanimidamide (PubChem CID 65272472) has the molecular formula C12H21N5S and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopropylamino]propanimidamide.

Molecular Properties

Compound Name3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopropylamino]propanimidamide
PubChem CID65272472
Molecular FormulaC12H21N5S
Molecular Weight267.40 g/mol
Exact Mass267.15
IUPAC Name3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopropylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1nc(C(C)(C)C)ns1)C1CC1
InChIInChI=1S/C12H21N5S/c1-12(2,3)10-15-11(18-16-10)17(8-4-5-8)7-6-9(13)14/h8H,4-7H2,1-3H3,(H3,13,14)
InChIKeyFLZOSWNXNTYRPJ-UHFFFAOYSA-N
XLogP2.13
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopropylamino]propanimidamide?
The IUPAC name of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopropylamino]propanimidamide (CID 65272472) is 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopropylamino]propanimidamide.
What is the SMILES notation for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopropylamino]propanimidamide?
The canonical SMILES for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopropylamino]propanimidamide is [H]/N=C(\N)CCN(c1nc(C(C)(C)C)ns1)C1CC1.
What is the InChIKey of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopropylamino]propanimidamide?
The InChIKey is FLZOSWNXNTYRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5S/c1-12(2,3)10-15-11(18-16-10)17(8-4-5-8)7-6-9(13)14/h8H,4-7H2,1-3H3,(H3,13,14).
What are the key properties of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopropylamino]propanimidamide?
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopropylamino]propanimidamide has a molecular weight of 267.40 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopropylamino]propanimidamide is sourced from PubChem (CID 65272472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).