N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine

C11H18F2N2OS — CID 103082652

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NCCOCC(F)F)c(C)s1
InChIInChI=1S/C11H18F2N2OS/c1-7(11-8(2)17-9(3)15-11)14-4-5-16-6-10(12)13/h7,10,14H,4-6H2,1-3H3
InChIKeyCKTIAUGJPAKPLI-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.69
Rot. Bonds7

About N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine

N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 103082652) has the molecular formula C11H18F2N2OS and a molecular weight of 264.34 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
PubChem CID103082652
Molecular FormulaC11H18F2N2OS
Molecular Weight264.34 g/mol
Exact Mass264.11
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NCCOCC(F)F)c(C)s1
InChIInChI=1S/C11H18F2N2OS/c1-7(11-8(2)17-9(3)15-11)14-4-5-16-6-10(12)13/h7,10,14H,4-6H2,1-3H3
InChIKeyCKTIAUGJPAKPLI-UHFFFAOYSA-N
XLogP2.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine 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

1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)-N-methylethanamine
CID 72126106
4-Methyl-5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazole-2-carboxamide
CID 69594397
2-[4-(Difluoromethyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethanamine
CID 118303042
(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
CID 135377698
1-[4-Methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
CID 135377699
2-(2,2-Difluoropropoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
CID 138671840
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43200482
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43755116
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroethanamine
CID 61193229
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,2-trifluoroethanamine
CID 61193341
N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
CID 61392584
N-[1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 61392585

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine (CID 103082652) is N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine is Cc1nc(C(C)NCCOCC(F)F)c(C)s1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is CKTIAUGJPAKPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2OS/c1-7(11-8(2)17-9(3)15-11)14-4-5-16-6-10(12)13/h7,10,14H,4-6H2,1-3H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine?
N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 264.34 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 103082652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).