5-N-(3-fluoropropyl)-1,2-thiazole-3,5-diamine

C6H10FN3S — CID 130505180

IUPAC5-N-(3-fluoropropyl)-1,2-thiazole-3,5-diamine
SMILESNc1cc(NCCCF)sn1
InChIInChI=1S/C6H10FN3S/c7-2-1-3-9-6-4-5(8)10-11-6/h4,9H,1-3H2,(H2,8,10)
InChIKeyXFZNICRJJMJDRD-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.50
Rot. Bonds4

About 5-N-(3-fluoropropyl)-1,2-thiazole-3,5-diamine

5-N-(3-fluoropropyl)-1,2-thiazole-3,5-diamine (PubChem CID 130505180) has the molecular formula C6H10FN3S and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-N-(3-fluoropropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-fluoropropyl)-1,2-thiazole-3,5-diamine
PubChem CID130505180
Molecular FormulaC6H10FN3S
Molecular Weight175.23 g/mol
Exact Mass175.06
IUPAC Name5-N-(3-fluoropropyl)-1,2-thiazole-3,5-diamine
SMILESNc1cc(NCCCF)sn1
InChIInChI=1S/C6H10FN3S/c7-2-1-3-9-6-4-5(8)10-11-6/h4,9H,1-3H2,(H2,8,10)
InChIKeyXFZNICRJJMJDRD-UHFFFAOYSA-N
XLogP1.50
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3-fluoropropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(3-fluoropropyl)-1,2-thiazole-3,5-diamine (CID 130505180) is 5-N-(3-fluoropropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(3-fluoropropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(3-fluoropropyl)-1,2-thiazole-3,5-diamine is Nc1cc(NCCCF)sn1.
What is the InChIKey of 5-N-(3-fluoropropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is XFZNICRJJMJDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3S/c7-2-1-3-9-6-4-5(8)10-11-6/h4,9H,1-3H2,(H2,8,10).
What are the key properties of 5-N-(3-fluoropropyl)-1,2-thiazole-3,5-diamine?
5-N-(3-fluoropropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 175.23 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-fluoropropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 130505180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).