3-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine

C9H14F2N2S — CID 84787493

IUPAC3-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1ncc(C(C)(F)F)s1
InChIInChI=1S/C9H14F2N2S/c1-9(10,11)7-6-13-8(14-7)4-3-5-12-2/h6,12H,3-5H2,1-2H3
InChIKeyRQXJHQVOZVMRFD-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.41
Rot. Bonds5

About 3-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine

3-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine (PubChem CID 84787493) has the molecular formula C9H14F2N2S and a molecular weight of 220.29 g/mol. Its IUPAC name is 3-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
PubChem CID84787493
Molecular FormulaC9H14F2N2S
Molecular Weight220.29 g/mol
Exact Mass220.08
IUPAC Name3-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1ncc(C(C)(F)F)s1
InChIInChI=1S/C9H14F2N2S/c1-9(10,11)7-6-13-8(14-7)4-3-5-12-2/h6,12H,3-5H2,1-2H3
InChIKeyRQXJHQVOZVMRFD-UHFFFAOYSA-N
XLogP2.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Ethyl-2-methylthiazole
CID 519732
2,5-Diethylthiazole
CID 85073
[(5-Ethyl-1,3-thiazol-2-yl)methyl](methyl)amine
CID 62653717
2-(5-Ethyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274393
(5-Ethyl-1,3-thiazol-2-yl)methanamine
CID 24274391
1-(2-Methyl-1,3-thiazol-5-yl)ethan-1-amine
CID 24278428
2-(5-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24279096
2-Chloro-5-(1,1-difluoroethyl)-1,3-thiazole
CID 155822051
2-(Bromomethyl)-5-(1,1-difluoroethyl)-1,3-thiazole
CID 166088000
1-(5-Ethyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274392
2-(2-Methyl-1,3-thiazol-5-yl)ethan-1-amine
CID 53719096
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine hydrochloride
CID 122163992

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine (CID 84787493) is 3-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine is CNCCCc1ncc(C(C)(F)F)s1.
What is the InChIKey of 3-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine?
The InChIKey is RQXJHQVOZVMRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2S/c1-9(10,11)7-6-13-8(14-7)4-3-5-12-2/h6,12H,3-5H2,1-2H3.
What are the key properties of 3-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine?
3-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine has a molecular weight of 220.29 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 84787493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).