2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde

C7H7F3N2OS — CID 62751135

IUPAC2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCN(CC(F)(F)F)c1ncc(C=O)s1
InChIInChI=1S/C7H7F3N2OS/c1-12(4-7(8,9)10)6-11-2-5(3-13)14-6/h2-3H,4H2,1H3
InChIKeyHJODNKOVNMQYMF-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.95
Rot. Bonds3

About 2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde

2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 62751135) has the molecular formula C7H7F3N2OS and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
PubChem CID62751135
Molecular FormulaC7H7F3N2OS
Molecular Weight224.21 g/mol
Exact Mass224.02
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCN(CC(F)(F)F)c1ncc(C=O)s1
InChIInChI=1S/C7H7F3N2OS/c1-12(4-7(8,9)10)6-11-2-5(3-13)14-6/h2-3H,4H2,1H3
InChIKeyHJODNKOVNMQYMF-UHFFFAOYSA-N
XLogP1.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.95
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-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde (CID 62751135) is 2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde is CN(CC(F)(F)F)c1ncc(C=O)s1.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is HJODNKOVNMQYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2OS/c1-12(4-7(8,9)10)6-11-2-5(3-13)14-6/h2-3H,4H2,1H3.
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde?
2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 224.21 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62751135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).