butyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate

C8H11FN2O2S — CID 87417808

IUPACbutyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate
SMILESCCCCOC(=O)Nc1ncc(F)s1
InChIInChI=1S/C8H11FN2O2S/c1-2-3-4-13-8(12)11-7-10-5-6(9)14-7/h5H,2-4H2,1H3,(H,10,11,12)
InChIKeyOOFNSFNXQBASPC-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.63
Rot. Bonds4

About butyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate

butyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate (PubChem CID 87417808) has the molecular formula C8H11FN2O2S and a molecular weight of 218.25 g/mol. Its IUPAC name is butyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Namebutyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate
PubChem CID87417808
Molecular FormulaC8H11FN2O2S
Molecular Weight218.25 g/mol
Exact Mass218.05
IUPAC Namebutyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate
SMILESCCCCOC(=O)Nc1ncc(F)s1
InChIInChI=1S/C8H11FN2O2S/c1-2-3-4-13-8(12)11-7-10-5-6(9)14-7/h5H,2-4H2,1H3,(H,10,11,12)
InChIKeyOOFNSFNXQBASPC-UHFFFAOYSA-N
XLogP2.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 butyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate?
The IUPAC name of butyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate (CID 87417808) is butyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for butyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for butyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate is CCCCOC(=O)Nc1ncc(F)s1.
What is the InChIKey of butyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate?
The InChIKey is OOFNSFNXQBASPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2S/c1-2-3-4-13-8(12)11-7-10-5-6(9)14-7/h5H,2-4H2,1H3,(H,10,11,12).
What are the key properties of butyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate?
butyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate has a molecular weight of 218.25 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(5-fluoro-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 87417808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).