4,5-dihydro-1,3-thiazol-3-ium-2-amine tetrafluoroborate

C3H7BF4N2S — CID 174824235

IUPAC4,5-dihydro-1,3-thiazol-3-ium-2-amine tetrafluoroborate
SMILESF[B-](F)(F)F.NC1=[NH+]CCS1
InChIInChI=1S/C3H6N2S.BF4/c4-3-5-1-2-6-3;2-1(3,4)5/h1-2H2,(H2,4,5);/q;-1/p+1
InChIKeyYEFWDMATASURRF-UHFFFAOYSA-O
MW189.97 g/mol
LogP-0.57
Rot. Bonds

About 4,5-dihydro-1,3-thiazol-3-ium-2-amine tetrafluoroborate

4,5-dihydro-1,3-thiazol-3-ium-2-amine tetrafluoroborate (PubChem CID 174824235) has the molecular formula C3H7BF4N2S and a molecular weight of 189.97 g/mol. Its IUPAC name is 4,5-dihydro-1,3-thiazol-3-ium-2-amine tetrafluoroborate.

Molecular Properties

Compound Name4,5-dihydro-1,3-thiazol-3-ium-2-amine tetrafluoroborate
PubChem CID174824235
Molecular FormulaC3H7BF4N2S
Molecular Weight189.97 g/mol
Exact Mass190.04
IUPAC Name4,5-dihydro-1,3-thiazol-3-ium-2-amine tetrafluoroborate
SMILESF[B-](F)(F)F.NC1=[NH+]CCS1
InChIInChI=1S/C3H6N2S.BF4/c4-3-5-1-2-6-3;2-1(3,4)5/h1-2H2,(H2,4,5);/q;-1/p+1
InChIKeyYEFWDMATASURRF-UHFFFAOYSA-O
XLogP-0.57
TPSA39.99 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.97
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5-Dihydro-1,3-thiazol-3-ium-2-amine chloride
CID 135504747
4,5-Dihydro-1,3-thiazol-3-ium-2-amine
CID 3958041
4,5-Dihydro-1,3-thiazol-3-ium-2-amine iodide
CID 177701985

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-thiazol-3-ium-2-amine tetrafluoroborate?
The IUPAC name of 4,5-dihydro-1,3-thiazol-3-ium-2-amine tetrafluoroborate (CID 174824235) is 4,5-dihydro-1,3-thiazol-3-ium-2-amine tetrafluoroborate.
What is the SMILES notation for 4,5-dihydro-1,3-thiazol-3-ium-2-amine tetrafluoroborate?
The canonical SMILES for 4,5-dihydro-1,3-thiazol-3-ium-2-amine tetrafluoroborate is F[B-](F)(F)F.NC1=[NH+]CCS1.
What is the InChIKey of 4,5-dihydro-1,3-thiazol-3-ium-2-amine tetrafluoroborate?
The InChIKey is YEFWDMATASURRF-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H6N2S.BF4/c4-3-5-1-2-6-3;2-1(3,4)5/h1-2H2,(H2,4,5);/q;-1/p+1.
What are the key properties of 4,5-dihydro-1,3-thiazol-3-ium-2-amine tetrafluoroborate?
4,5-dihydro-1,3-thiazol-3-ium-2-amine tetrafluoroborate has a molecular weight of 189.97 g/mol, XLogP of -0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-thiazol-3-ium-2-amine tetrafluoroborate is sourced from PubChem (CID 174824235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).