3-[fluoro(phosphanyl)methyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine

C6H11FN3PS — CID 174154427

IUPAC3-[fluoro(phosphanyl)methyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)Nc1nc(C(F)P)ns1
InChIInChI=1S/C6H11FN3PS/c1-3(2)8-6-9-5(4(7)11)10-12-6/h3-4H,11H2,1-2H3,(H,8,9,10)
InChIKeyVPCWHXNVXDDKSF-UHFFFAOYSA-N
MW207.21 g/mol
LogP2.20
Rot. Bonds3

About 3-[fluoro(phosphanyl)methyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine

3-[fluoro(phosphanyl)methyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 174154427) has the molecular formula C6H11FN3PS and a molecular weight of 207.21 g/mol. Its IUPAC name is 3-[fluoro(phosphanyl)methyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[fluoro(phosphanyl)methyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID174154427
Molecular FormulaC6H11FN3PS
Molecular Weight207.21 g/mol
Exact Mass207.04
IUPAC Name3-[fluoro(phosphanyl)methyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)Nc1nc(C(F)P)ns1
InChIInChI=1S/C6H11FN3PS/c1-3(2)8-6-9-5(4(7)11)10-12-6/h3-4H,11H2,1-2H3,(H,8,9,10)
InChIKeyVPCWHXNVXDDKSF-UHFFFAOYSA-N
XLogP2.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[fluoro(phosphanyl)methyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[fluoro(phosphanyl)methyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 174154427) is 3-[fluoro(phosphanyl)methyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[fluoro(phosphanyl)methyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[fluoro(phosphanyl)methyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)Nc1nc(C(F)P)ns1.
What is the InChIKey of 3-[fluoro(phosphanyl)methyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is VPCWHXNVXDDKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN3PS/c1-3(2)8-6-9-5(4(7)11)10-12-6/h3-4H,11H2,1-2H3,(H,8,9,10).
What are the key properties of 3-[fluoro(phosphanyl)methyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
3-[fluoro(phosphanyl)methyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 207.21 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro(phosphanyl)methyl]-N-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 174154427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).