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

C10H11F3N2OS — CID 62766260

IUPAC2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(N(CC(F)(F)F)C2CC2)sc1C=O
InChIInChI=1S/C10H11F3N2OS/c1-6-8(4-16)17-9(14-6)15(7-2-3-7)5-10(11,12)13/h4,7H,2-3,5H2,1H3
InChIKeyOGUXTNTYMCYMPO-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.80
Rot. Bonds4

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

2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde (PubChem CID 62766260) has the molecular formula C10H11F3N2OS and a molecular weight of 264.27 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
PubChem CID62766260
Molecular FormulaC10H11F3N2OS
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(N(CC(F)(F)F)C2CC2)sc1C=O
InChIInChI=1S/C10H11F3N2OS/c1-6-8(4-16)17-9(14-6)15(7-2-3-7)5-10(11,12)13/h4,7H,2-3,5H2,1H3
InChIKeyOGUXTNTYMCYMPO-UHFFFAOYSA-N
XLogP2.80
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.80
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-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde (CID 62766260) is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde is Cc1nc(N(CC(F)(F)F)C2CC2)sc1C=O.
What is the InChIKey of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is OGUXTNTYMCYMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2OS/c1-6-8(4-16)17-9(14-6)15(7-2-3-7)5-10(11,12)13/h4,7H,2-3,5H2,1H3.
What are the key properties of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde?
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 264.27 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62766260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).