N-(5-propan-2-yl-1,3-thiazol-2-yl)ethanimidoyl fluoride

C8H11FN2S — CID 90881193

IUPACN-(5-propan-2-yl-1,3-thiazol-2-yl)ethanimidoyl fluoride
SMILESCC(F)=Nc1ncc(C(C)C)s1
InChIInChI=1S/C8H11FN2S/c1-5(2)7-4-10-8(12-7)11-6(3)9/h4-5H,1-3H3
InChIKeyMARCUIDOZABWKE-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.29
Rot. Bonds2

About N-(5-propan-2-yl-1,3-thiazol-2-yl)ethanimidoyl fluoride

N-(5-propan-2-yl-1,3-thiazol-2-yl)ethanimidoyl fluoride (PubChem CID 90881193) has the molecular formula C8H11FN2S and a molecular weight of 186.25 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3-thiazol-2-yl)ethanimidoyl fluoride.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3-thiazol-2-yl)ethanimidoyl fluoride
PubChem CID90881193
Molecular FormulaC8H11FN2S
Molecular Weight186.25 g/mol
Exact Mass186.06
IUPAC NameN-(5-propan-2-yl-1,3-thiazol-2-yl)ethanimidoyl fluoride
SMILESCC(F)=Nc1ncc(C(C)C)s1
InChIInChI=1S/C8H11FN2S/c1-5(2)7-4-10-8(12-7)11-6(3)9/h4-5H,1-3H3
InChIKeyMARCUIDOZABWKE-UHFFFAOYSA-N
XLogP3.29
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3-thiazol-2-yl)ethanimidoyl fluoride?
The IUPAC name of N-(5-propan-2-yl-1,3-thiazol-2-yl)ethanimidoyl fluoride (CID 90881193) is N-(5-propan-2-yl-1,3-thiazol-2-yl)ethanimidoyl fluoride.
What is the SMILES notation for N-(5-propan-2-yl-1,3-thiazol-2-yl)ethanimidoyl fluoride?
The canonical SMILES for N-(5-propan-2-yl-1,3-thiazol-2-yl)ethanimidoyl fluoride is CC(F)=Nc1ncc(C(C)C)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3-thiazol-2-yl)ethanimidoyl fluoride?
The InChIKey is MARCUIDOZABWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2S/c1-5(2)7-4-10-8(12-7)11-6(3)9/h4-5H,1-3H3.
What are the key properties of N-(5-propan-2-yl-1,3-thiazol-2-yl)ethanimidoyl fluoride?
N-(5-propan-2-yl-1,3-thiazol-2-yl)ethanimidoyl fluoride has a molecular weight of 186.25 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3-thiazol-2-yl)ethanimidoyl fluoride is sourced from PubChem (CID 90881193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).