(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl carbamimidothioate

C7H10N4OS — CID 65211838

IUPAC(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl carbamimidothioate
SMILES[H]/N=C(\N)SCc1nc(C2CC2)no1
InChIInChI=1S/C7H10N4OS/c8-7(9)13-3-5-10-6(11-12-5)4-1-2-4/h4H,1-3H2,(H3,8,9)
InChIKeyCIQHOMMHINNBTD-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.07
Rot. Bonds3

About (3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl carbamimidothioate

(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl carbamimidothioate (PubChem CID 65211838) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is (3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl carbamimidothioate.

Molecular Properties

Compound Name(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl carbamimidothioate
PubChem CID65211838
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC Name(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl carbamimidothioate
SMILES[H]/N=C(\N)SCc1nc(C2CC2)no1
InChIInChI=1S/C7H10N4OS/c8-7(9)13-3-5-10-6(11-12-5)4-1-2-4/h4H,1-3H2,(H3,8,9)
InChIKeyCIQHOMMHINNBTD-UHFFFAOYSA-N
XLogP1.07
TPSA88.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.07
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'}

Analyze (3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl carbamimidothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-amine
CID 66216894
O-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]hydroxylamine
CID 79427579
(2R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol
CID 99792966
3-bromo-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 82840862
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanethiol
CID 170202003
(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methanamine
CID 64982066
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-ol
CID 125454590
2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetonitrile
CID 104677069
1-cyclopropyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65401397

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl carbamimidothioate?
The IUPAC name of (3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl carbamimidothioate (CID 65211838) is (3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl carbamimidothioate.
What is the SMILES notation for (3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl carbamimidothioate?
The canonical SMILES for (3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl carbamimidothioate is [H]/N=C(\N)SCc1nc(C2CC2)no1.
What is the InChIKey of (3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl carbamimidothioate?
The InChIKey is CIQHOMMHINNBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c8-7(9)13-3-5-10-6(11-12-5)4-1-2-4/h4H,1-3H2,(H3,8,9).
What are the key properties of (3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl carbamimidothioate?
(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl carbamimidothioate has a molecular weight of 198.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl carbamimidothioate is sourced from PubChem (CID 65211838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).