2-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine

C12H12F2N2S — CID 62651320

IUPAC2-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCC(CN)c1nc(-c2c(F)cccc2F)cs1
InChIInChI=1S/C12H12F2N2S/c1-7(5-15)12-16-10(6-17-12)11-8(13)3-2-4-9(11)14/h2-4,6-7H,5,15H2,1H3
InChIKeyCQHJMYNTBGVFHD-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.15
Rot. Bonds3

About 2-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine

2-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 62651320) has the molecular formula C12H12F2N2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine
PubChem CID62651320
Molecular FormulaC12H12F2N2S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCC(CN)c1nc(-c2c(F)cccc2F)cs1
InChIInChI=1S/C12H12F2N2S/c1-7(5-15)12-16-10(6-17-12)11-8(13)3-2-4-9(11)14/h2-4,6-7H,5,15H2,1H3
InChIKeyCQHJMYNTBGVFHD-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of 2-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine (CID 62651320) is 2-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for 2-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for 2-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine is CC(CN)c1nc(-c2c(F)cccc2F)cs1.
What is the InChIKey of 2-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is CQHJMYNTBGVFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2S/c1-7(5-15)12-16-10(6-17-12)11-8(13)3-2-4-9(11)14/h2-4,6-7H,5,15H2,1H3.
What are the key properties of 2-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine?
2-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine has a molecular weight of 254.31 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 62651320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).