2-(3-fluoropropylsulfanyl)-4,5-dihydro-1,3-thiazole

C6H10FNS2 — CID 127007632

IUPAC2-(3-fluoropropylsulfanyl)-4,5-dihydro-1,3-thiazole
SMILESFCCCSC1=NCCS1
InChIInChI=1S/C6H10FNS2/c7-2-1-4-9-6-8-3-5-10-6/h1-5H2
InChIKeyJDNYVPUCTCFCSU-UHFFFAOYSA-N
MW179.28 g/mol
LogP2.18
Rot. Bonds3

About 2-(3-fluoropropylsulfanyl)-4,5-dihydro-1,3-thiazole

2-(3-fluoropropylsulfanyl)-4,5-dihydro-1,3-thiazole (PubChem CID 127007632) has the molecular formula C6H10FNS2 and a molecular weight of 179.28 g/mol. Its IUPAC name is 2-(3-fluoropropylsulfanyl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(3-fluoropropylsulfanyl)-4,5-dihydro-1,3-thiazole
PubChem CID127007632
Molecular FormulaC6H10FNS2
Molecular Weight179.28 g/mol
Exact Mass179.02
IUPAC Name2-(3-fluoropropylsulfanyl)-4,5-dihydro-1,3-thiazole
SMILESFCCCSC1=NCCS1
InChIInChI=1S/C6H10FNS2/c7-2-1-4-9-6-8-3-5-10-6/h1-5H2
InChIKeyJDNYVPUCTCFCSU-UHFFFAOYSA-N
XLogP2.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(3-fluoropropylsulfanyl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(3-fluoropropylsulfanyl)-4,5-dihydro-1,3-thiazole (CID 127007632) is 2-(3-fluoropropylsulfanyl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(3-fluoropropylsulfanyl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(3-fluoropropylsulfanyl)-4,5-dihydro-1,3-thiazole is FCCCSC1=NCCS1.
What is the InChIKey of 2-(3-fluoropropylsulfanyl)-4,5-dihydro-1,3-thiazole?
The InChIKey is JDNYVPUCTCFCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNS2/c7-2-1-4-9-6-8-3-5-10-6/h1-5H2.
What are the key properties of 2-(3-fluoropropylsulfanyl)-4,5-dihydro-1,3-thiazole?
2-(3-fluoropropylsulfanyl)-4,5-dihydro-1,3-thiazole has a molecular weight of 179.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylsulfanyl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 127007632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).