2-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazole

C7H10FNS2 — CID 131206904

IUPAC2-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazole
SMILESCc1csc(SCCCF)n1
InChIInChI=1S/C7H10FNS2/c1-6-5-11-7(9-6)10-4-2-3-8/h5H,2-4H2,1H3
InChIKeyHSBBLXRBGCCQII-UHFFFAOYSA-N
MW191.30 g/mol
LogP2.90
Rot. Bonds4

About 2-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazole

2-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazole (PubChem CID 131206904) has the molecular formula C7H10FNS2 and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazole
PubChem CID131206904
Molecular FormulaC7H10FNS2
Molecular Weight191.30 g/mol
Exact Mass191.02
IUPAC Name2-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazole
SMILESCc1csc(SCCCF)n1
InChIInChI=1S/C7H10FNS2/c1-6-5-11-7(9-6)10-4-2-3-8/h5H,2-4H2,1H3
InChIKeyHSBBLXRBGCCQII-UHFFFAOYSA-N
XLogP2.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazole (CID 131206904) is 2-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazole is Cc1csc(SCCCF)n1.
What is the InChIKey of 2-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazole?
The InChIKey is HSBBLXRBGCCQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNS2/c1-6-5-11-7(9-6)10-4-2-3-8/h5H,2-4H2,1H3.
What are the key properties of 2-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazole?
2-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazole has a molecular weight of 191.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylsulfanyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 131206904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).