5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazole-2-carbaldehyde

C8H10FNOS — CID 84770356

IUPAC5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazole-2-carbaldehyde
SMILESCc1nc(C=O)sc1C(C)(C)F
InChIInChI=1S/C8H10FNOS/c1-5-7(8(2,3)9)12-6(4-11)10-5/h4H,1-3H3
InChIKeyKJHIOQBGHRBAAG-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.47
Rot. Bonds2

About 5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazole-2-carbaldehyde

5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazole-2-carbaldehyde (PubChem CID 84770356) has the molecular formula C8H10FNOS and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazole-2-carbaldehyde
PubChem CID84770356
Molecular FormulaC8H10FNOS
Molecular Weight187.24 g/mol
Exact Mass187.05
IUPAC Name5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazole-2-carbaldehyde
SMILESCc1nc(C=O)sc1C(C)(C)F
InChIInChI=1S/C8H10FNOS/c1-5-7(8(2,3)9)12-6(4-11)10-5/h4H,1-3H3
InChIKeyKJHIOQBGHRBAAG-UHFFFAOYSA-N
XLogP2.47
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazole-2-carbaldehyde (CID 84770356) is 5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazole-2-carbaldehyde is Cc1nc(C=O)sc1C(C)(C)F.
What is the InChIKey of 5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazole-2-carbaldehyde?
The InChIKey is KJHIOQBGHRBAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNOS/c1-5-7(8(2,3)9)12-6(4-11)10-5/h4H,1-3H3.
What are the key properties of 5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazole-2-carbaldehyde?
5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazole-2-carbaldehyde has a molecular weight of 187.24 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 84770356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).