5-(1-iminopropan-2-yl)-1,3,4-thiadiazol-2-amine

C5H8N4S — CID 90334340

IUPAC5-(1-iminopropan-2-yl)-1,3,4-thiadiazol-2-amine
SMILES[H]/N=C/C(C)c1nnc(N)s1
InChIInChI=1S/C5H8N4S/c1-3(2-6)4-8-9-5(7)10-4/h2-3,6H,1H3,(H2,7,9)/b6-2+
InChIKeyXVTCWBNTEXTWKM-QHHAFSJGSA-N
MW156.21 g/mol
LogP0.87
Rot. Bonds2

About 5-(1-iminopropan-2-yl)-1,3,4-thiadiazol-2-amine

5-(1-iminopropan-2-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 90334340) has the molecular formula C5H8N4S and a molecular weight of 156.21 g/mol. Its IUPAC name is 5-(1-iminopropan-2-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1-iminopropan-2-yl)-1,3,4-thiadiazol-2-amine
PubChem CID90334340
Molecular FormulaC5H8N4S
Molecular Weight156.21 g/mol
Exact Mass156.05
IUPAC Name5-(1-iminopropan-2-yl)-1,3,4-thiadiazol-2-amine
SMILES[H]/N=C/C(C)c1nnc(N)s1
InChIInChI=1S/C5H8N4S/c1-3(2-6)4-8-9-5(7)10-4/h2-3,6H,1H3,(H2,7,9)/b6-2+
InChIKeyXVTCWBNTEXTWKM-QHHAFSJGSA-N
XLogP0.87
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-iminopropan-2-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1-iminopropan-2-yl)-1,3,4-thiadiazol-2-amine (CID 90334340) is 5-(1-iminopropan-2-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1-iminopropan-2-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1-iminopropan-2-yl)-1,3,4-thiadiazol-2-amine is [H]/N=C/C(C)c1nnc(N)s1.
What is the InChIKey of 5-(1-iminopropan-2-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is XVTCWBNTEXTWKM-QHHAFSJGSA-N. The full InChI is InChI=1S/C5H8N4S/c1-3(2-6)4-8-9-5(7)10-4/h2-3,6H,1H3,(H2,7,9)/b6-2+.
What are the key properties of 5-(1-iminopropan-2-yl)-1,3,4-thiadiazol-2-amine?
5-(1-iminopropan-2-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 156.21 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-iminopropan-2-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 90334340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).