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

C9H8ClF3N2OS — CID 80688266

IUPAC4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(N(CC(F)(F)F)C2CC2)nc1Cl
InChIInChI=1S/C9H8ClF3N2OS/c10-7-6(3-16)17-8(14-7)15(5-1-2-5)4-9(11,12)13/h3,5H,1-2,4H2
InChIKeyZPMIFRPXMSSEKS-UHFFFAOYSA-N
MW284.69 g/mol
LogP3.14
Rot. Bonds4

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

4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 80688266) has the molecular formula C9H8ClF3N2OS and a molecular weight of 284.69 g/mol. Its IUPAC name is 4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
PubChem CID80688266
Molecular FormulaC9H8ClF3N2OS
Molecular Weight284.69 g/mol
Exact Mass284.00
IUPAC Name4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(N(CC(F)(F)F)C2CC2)nc1Cl
InChIInChI=1S/C9H8ClF3N2OS/c10-7-6(3-16)17-8(14-7)15(5-1-2-5)4-9(11,12)13/h3,5H,1-2,4H2
InChIKeyZPMIFRPXMSSEKS-UHFFFAOYSA-N
XLogP3.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-Chloro-2-(dimethylamino)-1,3-thiazole-5-carbaldehyde
CID 9118376
4-Chloro-2-(pyrrolidin-1-yl)thiazole-5-carbaldehyde
CID 2763066
4-Chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 2763067
4-Chloro-2-diethylamino-1,3-thiazole-5-carbaldehyde
CID 33777877
2-[Bis(2-chloroethyl)amino]-4-chloro-1,3-thiazole-5-carbaldehyde
CID 155815840
4-Chloro-2-(1-piperidino)-5-thiazolecarboxaldehyde
CID 3833873
Methyl 4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate
CID 55009667
Methyl 4-chloro-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate
CID 55009717
4-Chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80687152
4-Chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80688075
4-Chloro-2-[methyl(3,3,3-trifluoropropyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80688180
4-Chloro-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80688267

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde (CID 80688266) is 4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde is O=Cc1sc(N(CC(F)(F)F)C2CC2)nc1Cl.
What is the InChIKey of 4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is ZPMIFRPXMSSEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2OS/c10-7-6(3-16)17-8(14-7)15(5-1-2-5)4-9(11,12)13/h3,5H,1-2,4H2.
What are the key properties of 4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde?
4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 284.69 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 80688266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).