1-fluoro-N,2-dimethyl-1-(1,2-thiazol-3-yl)propan-2-amine

C8H13FN2S — CID 130691481

IUPAC1-fluoro-N,2-dimethyl-1-(1,2-thiazol-3-yl)propan-2-amine
SMILESCNC(C)(C)C(F)c1ccsn1
InChIInChI=1S/C8H13FN2S/c1-8(2,10-3)7(9)6-4-5-12-11-6/h4-5,7,10H,1-3H3
InChIKeySQGMWZHMHYJSNF-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.15
Rot. Bonds3

About 1-fluoro-N,2-dimethyl-1-(1,2-thiazol-3-yl)propan-2-amine

1-fluoro-N,2-dimethyl-1-(1,2-thiazol-3-yl)propan-2-amine (PubChem CID 130691481) has the molecular formula C8H13FN2S and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-fluoro-N,2-dimethyl-1-(1,2-thiazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-fluoro-N,2-dimethyl-1-(1,2-thiazol-3-yl)propan-2-amine
PubChem CID130691481
Molecular FormulaC8H13FN2S
Molecular Weight188.27 g/mol
Exact Mass188.08
IUPAC Name1-fluoro-N,2-dimethyl-1-(1,2-thiazol-3-yl)propan-2-amine
SMILESCNC(C)(C)C(F)c1ccsn1
InChIInChI=1S/C8H13FN2S/c1-8(2,10-3)7(9)6-4-5-12-11-6/h4-5,7,10H,1-3H3
InChIKeySQGMWZHMHYJSNF-UHFFFAOYSA-N
XLogP2.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-fluoro-N,2-dimethyl-1-(1,2-thiazol-3-yl)propan-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

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N,2-dimethyl-1-(1,2-thiazol-3-yl)propan-2-amine?
The IUPAC name of 1-fluoro-N,2-dimethyl-1-(1,2-thiazol-3-yl)propan-2-amine (CID 130691481) is 1-fluoro-N,2-dimethyl-1-(1,2-thiazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-fluoro-N,2-dimethyl-1-(1,2-thiazol-3-yl)propan-2-amine?
The canonical SMILES for 1-fluoro-N,2-dimethyl-1-(1,2-thiazol-3-yl)propan-2-amine is CNC(C)(C)C(F)c1ccsn1.
What is the InChIKey of 1-fluoro-N,2-dimethyl-1-(1,2-thiazol-3-yl)propan-2-amine?
The InChIKey is SQGMWZHMHYJSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2S/c1-8(2,10-3)7(9)6-4-5-12-11-6/h4-5,7,10H,1-3H3.
What are the key properties of 1-fluoro-N,2-dimethyl-1-(1,2-thiazol-3-yl)propan-2-amine?
1-fluoro-N,2-dimethyl-1-(1,2-thiazol-3-yl)propan-2-amine has a molecular weight of 188.27 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N,2-dimethyl-1-(1,2-thiazol-3-yl)propan-2-amine is sourced from PubChem (CID 130691481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).