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

C10H13F3N2OS — CID 62765255

IUPAC2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(N(C)CC(F)(F)F)sc1C=O
InChIInChI=1S/C10H13F3N2OS/c1-3-4-7-8(5-16)17-9(14-7)15(2)6-10(11,12)13/h5H,3-4,6H2,1-2H3
InChIKeyIQKZQGYMEAXQDG-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.91
Rot. Bonds5

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

2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde (PubChem CID 62765255) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde
PubChem CID62765255
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(N(C)CC(F)(F)F)sc1C=O
InChIInChI=1S/C10H13F3N2OS/c1-3-4-7-8(5-16)17-9(14-7)15(2)6-10(11,12)13/h5H,3-4,6H2,1-2H3
InChIKeyIQKZQGYMEAXQDG-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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]-4-propyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde (CID 62765255) is 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde is CCCc1nc(N(C)CC(F)(F)F)sc1C=O.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is IQKZQGYMEAXQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c1-3-4-7-8(5-16)17-9(14-7)15(2)6-10(11,12)13/h5H,3-4,6H2,1-2H3.
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde?
2-[methyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 266.29 g/mol, XLogP of 2.91, 5 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]-4-propyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62765255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).