2-(2-ethyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylpropan-1-amine

C13H22FN3S — CID 70849753

IUPAC2-(2-ethyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylpropan-1-amine
SMILESCCc1nc2c(s1)CCN(C(C)CN(C)C)C2F
InChIInChI=1S/C13H22FN3S/c1-5-11-15-12-10(18-11)6-7-17(13(12)14)9(2)8-16(3)4/h9,13H,5-8H2,1-4H3
InChIKeyDFXMIJZPRHRVDX-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.48
Rot. Bonds4

About 2-(2-ethyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylpropan-1-amine

2-(2-ethyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylpropan-1-amine (PubChem CID 70849753) has the molecular formula C13H22FN3S and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(2-ethyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-(2-ethyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylpropan-1-amine
PubChem CID70849753
Molecular FormulaC13H22FN3S
Molecular Weight271.40 g/mol
Exact Mass271.15
IUPAC Name2-(2-ethyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylpropan-1-amine
SMILESCCc1nc2c(s1)CCN(C(C)CN(C)C)C2F
InChIInChI=1S/C13H22FN3S/c1-5-11-15-12-10(18-11)6-7-17(13(12)14)9(2)8-16(3)4/h9,13H,5-8H2,1-4H3
InChIKeyDFXMIJZPRHRVDX-UHFFFAOYSA-N
XLogP2.48
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-(2-ethyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylpropan-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

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 2-(2-ethyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylpropan-1-amine (CID 70849753) is 2-(2-ethyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 2-(2-ethyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 2-(2-ethyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylpropan-1-amine is CCc1nc2c(s1)CCN(C(C)CN(C)C)C2F.
What is the InChIKey of 2-(2-ethyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is DFXMIJZPRHRVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3S/c1-5-11-15-12-10(18-11)6-7-17(13(12)14)9(2)8-16(3)4/h9,13H,5-8H2,1-4H3.
What are the key properties of 2-(2-ethyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylpropan-1-amine?
2-(2-ethyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 70849753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).