2-(N-ethyl-4-fluoroanilino)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde

C15H17FN2OS — CID 79392895

IUPAC2-(N-ethyl-4-fluoroanilino)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
SMILESCCN(c1ccc(F)cc1)c1nc(C(C)C)c(C=O)s1
InChIInChI=1S/C15H17FN2OS/c1-4-18(12-7-5-11(16)6-8-12)15-17-14(10(2)3)13(9-19)20-15/h5-10H,4H2,1-3H3
InChIKeyVKTLGKMKSLAAMZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.38
Rot. Bonds5

About 2-(N-ethyl-4-fluoroanilino)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde

2-(N-ethyl-4-fluoroanilino)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde (PubChem CID 79392895) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(N-ethyl-4-fluoroanilino)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(N-ethyl-4-fluoroanilino)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
PubChem CID79392895
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name2-(N-ethyl-4-fluoroanilino)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
SMILESCCN(c1ccc(F)cc1)c1nc(C(C)C)c(C=O)s1
InChIInChI=1S/C15H17FN2OS/c1-4-18(12-7-5-11(16)6-8-12)15-17-14(10(2)3)13(9-19)20-15/h5-10H,4H2,1-3H3
InChIKeyVKTLGKMKSLAAMZ-UHFFFAOYSA-N
XLogP4.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-4-fluoroanilino)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(N-ethyl-4-fluoroanilino)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde (CID 79392895) is 2-(N-ethyl-4-fluoroanilino)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(N-ethyl-4-fluoroanilino)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(N-ethyl-4-fluoroanilino)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde is CCN(c1ccc(F)cc1)c1nc(C(C)C)c(C=O)s1.
What is the InChIKey of 2-(N-ethyl-4-fluoroanilino)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde?
The InChIKey is VKTLGKMKSLAAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-4-18(12-7-5-11(16)6-8-12)15-17-14(10(2)3)13(9-19)20-15/h5-10H,4H2,1-3H3.
What are the key properties of 2-(N-ethyl-4-fluoroanilino)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde?
2-(N-ethyl-4-fluoroanilino)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde has a molecular weight of 292.38 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-4-fluoroanilino)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 79392895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).