2-fluoro-3-methyl-2H-1,3-thiazole

C4H6FNS — CID 172765522

IUPAC2-fluoro-3-methyl-2H-1,3-thiazole
SMILESCN1C=CSC1F
InChIInChI=1S/C4H6FNS/c1-6-2-3-7-4(6)5/h2-4H,1H3
InChIKeyMGJIVPAXRBGVQU-UHFFFAOYSA-N
MW119.16 g/mol
LogP1.39
Rot. Bonds

About 2-fluoro-3-methyl-2H-1,3-thiazole

2-fluoro-3-methyl-2H-1,3-thiazole (PubChem CID 172765522) has the molecular formula C4H6FNS and a molecular weight of 119.16 g/mol. Its IUPAC name is 2-fluoro-3-methyl-2H-1,3-thiazole.

Molecular Properties

Compound Name2-fluoro-3-methyl-2H-1,3-thiazole
PubChem CID172765522
Molecular FormulaC4H6FNS
Molecular Weight119.16 g/mol
Exact Mass119.02
IUPAC Name2-fluoro-3-methyl-2H-1,3-thiazole
SMILESCN1C=CSC1F
InChIInChI=1S/C4H6FNS/c1-6-2-3-7-4(6)5/h2-4H,1H3
InChIKeyMGJIVPAXRBGVQU-UHFFFAOYSA-N
XLogP1.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

CID 138563
CID 138563
CID 15407522
CID 15407522
CID 123623581
CID 123623581
CID 140972978
CID 140972978
CID 141829740
CID 141829740
CID 146392758
CID 146392758
CID 146392761
CID 146392761
CID 146392774
CID 146392774
CID 146392989
CID 146392989
CID 168157679
CID 168157679
CID 174883467
CID 174883467
CID 175558014
CID 175558014

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-2H-1,3-thiazole?
The IUPAC name of 2-fluoro-3-methyl-2H-1,3-thiazole (CID 172765522) is 2-fluoro-3-methyl-2H-1,3-thiazole.
What is the SMILES notation for 2-fluoro-3-methyl-2H-1,3-thiazole?
The canonical SMILES for 2-fluoro-3-methyl-2H-1,3-thiazole is CN1C=CSC1F.
What is the InChIKey of 2-fluoro-3-methyl-2H-1,3-thiazole?
The InChIKey is MGJIVPAXRBGVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNS/c1-6-2-3-7-4(6)5/h2-4H,1H3.
What are the key properties of 2-fluoro-3-methyl-2H-1,3-thiazole?
2-fluoro-3-methyl-2H-1,3-thiazole has a molecular weight of 119.16 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-2H-1,3-thiazole is sourced from PubChem (CID 172765522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).