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

C10H13F3N2OS — CID 62766435

IUPAC4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCCCN(CC(F)(F)F)c1nc(C)c(C=O)s1
InChIInChI=1S/C10H13F3N2OS/c1-3-4-15(6-10(11,12)13)9-14-7(2)8(5-16)17-9/h5H,3-4,6H2,1-2H3
InChIKeyVFZFHNYVPFQTFI-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.04
Rot. Bonds5

About 4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde

4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 62766435) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is 4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
PubChem CID62766435
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCCCN(CC(F)(F)F)c1nc(C)c(C=O)s1
InChIInChI=1S/C10H13F3N2OS/c1-3-4-15(6-10(11,12)13)9-14-7(2)8(5-16)17-9/h5H,3-4,6H2,1-2H3
InChIKeyVFZFHNYVPFQTFI-UHFFFAOYSA-N
XLogP3.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.04
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-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde (CID 62766435) is 4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde is CCCN(CC(F)(F)F)c1nc(C)c(C=O)s1.
What is the InChIKey of 4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is VFZFHNYVPFQTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c1-3-4-15(6-10(11,12)13)9-14-7(2)8(5-16)17-9/h5H,3-4,6H2,1-2H3.
What are the key properties of 4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde?
4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 266.29 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62766435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).