3-[cyclopropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanimidamide

C9H15N5S — CID 65209210

IUPAC3-[cyclopropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1nnc(C)s1)C1CC1
InChIInChI=1S/C9H15N5S/c1-6-12-13-9(15-6)14(7-2-3-7)5-4-8(10)11/h7H,2-5H2,1H3,(H3,10,11)
InChIKeyGOTVZZRPCUANHM-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.14
Rot. Bonds5

About 3-[cyclopropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanimidamide

3-[cyclopropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanimidamide (PubChem CID 65209210) has the molecular formula C9H15N5S and a molecular weight of 225.32 g/mol. Its IUPAC name is 3-[cyclopropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanimidamide
PubChem CID65209210
Molecular FormulaC9H15N5S
Molecular Weight225.32 g/mol
Exact Mass225.10
IUPAC Name3-[cyclopropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1nnc(C)s1)C1CC1
InChIInChI=1S/C9H15N5S/c1-6-12-13-9(15-6)14(7-2-3-7)5-4-8(10)11/h7H,2-5H2,1H3,(H3,10,11)
InChIKeyGOTVZZRPCUANHM-UHFFFAOYSA-N
XLogP1.14
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.14
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-[cyclopropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanimidamide?
The IUPAC name of 3-[cyclopropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanimidamide (CID 65209210) is 3-[cyclopropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanimidamide.
What is the SMILES notation for 3-[cyclopropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanimidamide?
The canonical SMILES for 3-[cyclopropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanimidamide is [H]/N=C(\N)CCN(c1nnc(C)s1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanimidamide?
The InChIKey is GOTVZZRPCUANHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5S/c1-6-12-13-9(15-6)14(7-2-3-7)5-4-8(10)11/h7H,2-5H2,1H3,(H3,10,11).
What are the key properties of 3-[cyclopropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanimidamide?
3-[cyclopropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanimidamide has a molecular weight of 225.32 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanimidamide is sourced from PubChem (CID 65209210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).