5-[[2,2-difluoroethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine

C9H15F2N3OS — CID 120899725

IUPAC5-[[2,2-difluoroethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCOCCN(Cc1cnc(N)s1)CC(F)F
InChIInChI=1S/C9H15F2N3OS/c1-15-3-2-14(6-8(10)11)5-7-4-13-9(12)16-7/h4,8H,2-3,5-6H2,1H3,(H2,12,13)
InChIKeyDVOHEUJWFASRGA-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.44
Rot. Bonds7

About 5-[[2,2-difluoroethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine

5-[[2,2-difluoroethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 120899725) has the molecular formula C9H15F2N3OS and a molecular weight of 251.30 g/mol. Its IUPAC name is 5-[[2,2-difluoroethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[2,2-difluoroethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID120899725
Molecular FormulaC9H15F2N3OS
Molecular Weight251.30 g/mol
Exact Mass251.09
IUPAC Name5-[[2,2-difluoroethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCOCCN(Cc1cnc(N)s1)CC(F)F
InChIInChI=1S/C9H15F2N3OS/c1-15-3-2-14(6-8(10)11)5-7-4-13-9(12)16-7/h4,8H,2-3,5-6H2,1H3,(H2,12,13)
InChIKeyDVOHEUJWFASRGA-UHFFFAOYSA-N
XLogP1.44
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[2,2-difluoroethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-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-(Morpholin-4-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
CID 87112178
5-[(3,3-Difluoropyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120902687
5-(Pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine;2,2,2-trifluoroacetaldehyde
CID 158036361
N,N-diethyl-5-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-amine
CID 43755056
N,N-diethyl-5-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]-1,3-thiazol-2-amine
CID 61809300
5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750009
N-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750611
5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750612
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750616
5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62750854
N-ethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62752680
5-[(2-methoxyethylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62752862

Frequently Asked Questions

What is the IUPAC name of 5-[[2,2-difluoroethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[2,2-difluoroethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine (CID 120899725) is 5-[[2,2-difluoroethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[2,2-difluoroethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[2,2-difluoroethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine is COCCN(Cc1cnc(N)s1)CC(F)F.
What is the InChIKey of 5-[[2,2-difluoroethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is DVOHEUJWFASRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3OS/c1-15-3-2-14(6-8(10)11)5-7-4-13-9(12)16-7/h4,8H,2-3,5-6H2,1H3,(H2,12,13).
What are the key properties of 5-[[2,2-difluoroethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine?
5-[[2,2-difluoroethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 251.30 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,2-difluoroethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120899725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).