2-(3-fluoropropylsulfanyl)-1,3-thiazole

C6H8FNS2 — CID 130626663

IUPAC2-(3-fluoropropylsulfanyl)-1,3-thiazole
SMILESFCCCSc1nccs1
InChIInChI=1S/C6H8FNS2/c7-2-1-4-9-6-8-3-5-10-6/h3,5H,1-2,4H2
InChIKeyHMCXCTLGHXSBHO-UHFFFAOYSA-N
MW177.27 g/mol
LogP2.59
Rot. Bonds4

About 2-(3-fluoropropylsulfanyl)-1,3-thiazole

2-(3-fluoropropylsulfanyl)-1,3-thiazole (PubChem CID 130626663) has the molecular formula C6H8FNS2 and a molecular weight of 177.27 g/mol. Its IUPAC name is 2-(3-fluoropropylsulfanyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-fluoropropylsulfanyl)-1,3-thiazole
PubChem CID130626663
Molecular FormulaC6H8FNS2
Molecular Weight177.27 g/mol
Exact Mass177.01
IUPAC Name2-(3-fluoropropylsulfanyl)-1,3-thiazole
SMILESFCCCSc1nccs1
InChIInChI=1S/C6H8FNS2/c7-2-1-4-9-6-8-3-5-10-6/h3,5H,1-2,4H2
InChIKeyHMCXCTLGHXSBHO-UHFFFAOYSA-N
XLogP2.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropylsulfanyl)-1,3-thiazole?
The IUPAC name of 2-(3-fluoropropylsulfanyl)-1,3-thiazole (CID 130626663) is 2-(3-fluoropropylsulfanyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-fluoropropylsulfanyl)-1,3-thiazole?
The canonical SMILES for 2-(3-fluoropropylsulfanyl)-1,3-thiazole is FCCCSc1nccs1.
What is the InChIKey of 2-(3-fluoropropylsulfanyl)-1,3-thiazole?
The InChIKey is HMCXCTLGHXSBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNS2/c7-2-1-4-9-6-8-3-5-10-6/h3,5H,1-2,4H2.
What are the key properties of 2-(3-fluoropropylsulfanyl)-1,3-thiazole?
2-(3-fluoropropylsulfanyl)-1,3-thiazole has a molecular weight of 177.27 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylsulfanyl)-1,3-thiazole is sourced from PubChem (CID 130626663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).