N-[[3-(fluoromethyl)-2H-1,3-thiazol-2-yl]methyl]formamide

C6H9FN2OS — CID 22916697

IUPACN-[[3-(fluoromethyl)-2H-1,3-thiazol-2-yl]methyl]formamide
SMILESO=CNCC1SC=CN1CF
InChIInChI=1S/C6H9FN2OS/c7-4-9-1-2-11-6(9)3-8-5-10/h1-2,5-6H,3-4H2,(H,8,10)
InChIKeyGXQJIXISXOTHGB-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.51
Rot. Bonds4

About N-[[3-(fluoromethyl)-2H-1,3-thiazol-2-yl]methyl]formamide

N-[[3-(fluoromethyl)-2H-1,3-thiazol-2-yl]methyl]formamide (PubChem CID 22916697) has the molecular formula C6H9FN2OS and a molecular weight of 176.22 g/mol. Its IUPAC name is N-[[3-(fluoromethyl)-2H-1,3-thiazol-2-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[3-(fluoromethyl)-2H-1,3-thiazol-2-yl]methyl]formamide
PubChem CID22916697
Molecular FormulaC6H9FN2OS
Molecular Weight176.22 g/mol
Exact Mass176.04
IUPAC NameN-[[3-(fluoromethyl)-2H-1,3-thiazol-2-yl]methyl]formamide
SMILESO=CNCC1SC=CN1CF
InChIInChI=1S/C6H9FN2OS/c7-4-9-1-2-11-6(9)3-8-5-10/h1-2,5-6H,3-4H2,(H,8,10)
InChIKeyGXQJIXISXOTHGB-UHFFFAOYSA-N
XLogP0.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(fluoromethyl)-2H-1,3-thiazol-2-yl]methyl]formamide?
The IUPAC name of N-[[3-(fluoromethyl)-2H-1,3-thiazol-2-yl]methyl]formamide (CID 22916697) is N-[[3-(fluoromethyl)-2H-1,3-thiazol-2-yl]methyl]formamide.
What is the SMILES notation for N-[[3-(fluoromethyl)-2H-1,3-thiazol-2-yl]methyl]formamide?
The canonical SMILES for N-[[3-(fluoromethyl)-2H-1,3-thiazol-2-yl]methyl]formamide is O=CNCC1SC=CN1CF.
What is the InChIKey of N-[[3-(fluoromethyl)-2H-1,3-thiazol-2-yl]methyl]formamide?
The InChIKey is GXQJIXISXOTHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2OS/c7-4-9-1-2-11-6(9)3-8-5-10/h1-2,5-6H,3-4H2,(H,8,10).
What are the key properties of N-[[3-(fluoromethyl)-2H-1,3-thiazol-2-yl]methyl]formamide?
N-[[3-(fluoromethyl)-2H-1,3-thiazol-2-yl]methyl]formamide has a molecular weight of 176.22 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(fluoromethyl)-2H-1,3-thiazol-2-yl]methyl]formamide is sourced from PubChem (CID 22916697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).