1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine

C8H12F2N2S — CID 84779097

IUPAC1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
SMILESCc1nc(C(C)N)sc1C(C)(F)F
InChIInChI=1S/C8H12F2N2S/c1-4(11)7-12-5(2)6(13-7)8(3,9)10/h4H,11H2,1-3H3
InChIKeyMHYPPXUBHMADAM-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.58
Rot. Bonds2

About 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine

1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine (PubChem CID 84779097) has the molecular formula C8H12F2N2S and a molecular weight of 206.26 g/mol. Its IUPAC name is 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
PubChem CID84779097
Molecular FormulaC8H12F2N2S
Molecular Weight206.26 g/mol
Exact Mass206.07
IUPAC Name1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
SMILESCc1nc(C(C)N)sc1C(C)(F)F
InChIInChI=1S/C8H12F2N2S/c1-4(11)7-12-5(2)6(13-7)8(3,9)10/h4H,11H2,1-3H3
InChIKeyMHYPPXUBHMADAM-UHFFFAOYSA-N
XLogP2.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine (CID 84779097) is 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine is Cc1nc(C(C)N)sc1C(C)(F)F.
What is the InChIKey of 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine?
The InChIKey is MHYPPXUBHMADAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2S/c1-4(11)7-12-5(2)6(13-7)8(3,9)10/h4H,11H2,1-3H3.
What are the key properties of 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine?
1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine has a molecular weight of 206.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 84779097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).