4-cyclopropyl-2-[(4-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carbaldehyde

C15H15FN2OS — CID 63916415

IUPAC4-cyclopropyl-2-[(4-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carbaldehyde
SMILESCN(Cc1ccc(F)cc1)c1nc(C2CC2)c(C=O)s1
InChIInChI=1S/C15H15FN2OS/c1-18(8-10-2-6-12(16)7-3-10)15-17-14(11-4-5-11)13(9-19)20-15/h2-3,6-7,9,11H,4-5,8H2,1H3
InChIKeyKPYQLZJNXJIDOB-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.61
Rot. Bonds5

About 4-cyclopropyl-2-[(4-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carbaldehyde

4-cyclopropyl-2-[(4-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carbaldehyde (PubChem CID 63916415) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-cyclopropyl-2-[(4-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-cyclopropyl-2-[(4-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carbaldehyde
PubChem CID63916415
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name4-cyclopropyl-2-[(4-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carbaldehyde
SMILESCN(Cc1ccc(F)cc1)c1nc(C2CC2)c(C=O)s1
InChIInChI=1S/C15H15FN2OS/c1-18(8-10-2-6-12(16)7-3-10)15-17-14(11-4-5-11)13(9-19)20-15/h2-3,6-7,9,11H,4-5,8H2,1H3
InChIKeyKPYQLZJNXJIDOB-UHFFFAOYSA-N
XLogP3.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.61
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 4-cyclopropyl-2-[(4-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-cyclopropyl-2-[(4-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carbaldehyde (CID 63916415) is 4-cyclopropyl-2-[(4-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-cyclopropyl-2-[(4-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-cyclopropyl-2-[(4-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carbaldehyde is CN(Cc1ccc(F)cc1)c1nc(C2CC2)c(C=O)s1.
What is the InChIKey of 4-cyclopropyl-2-[(4-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is KPYQLZJNXJIDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-18(8-10-2-6-12(16)7-3-10)15-17-14(11-4-5-11)13(9-19)20-15/h2-3,6-7,9,11H,4-5,8H2,1H3.
What are the key properties of 4-cyclopropyl-2-[(4-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carbaldehyde?
4-cyclopropyl-2-[(4-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 290.36 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[(4-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 63916415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).