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

C12H12F2N2S — CID 114058402

IUPAC1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nc(-c2cccc(F)c2F)cs1
InChIInChI=1S/C12H12F2N2S/c1-2-9(15)12-16-10(6-17-12)7-4-3-5-8(13)11(7)14/h3-6,9H,2,15H2,1H3
InChIKeyIBRKJHHZUWVGQD-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.50
Rot. Bonds3

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

1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 114058402) has the molecular formula C12H12F2N2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine
PubChem CID114058402
Molecular FormulaC12H12F2N2S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nc(-c2cccc(F)c2F)cs1
InChIInChI=1S/C12H12F2N2S/c1-2-9(15)12-16-10(6-17-12)7-4-3-5-8(13)11(7)14/h3-6,9H,2,15H2,1H3
InChIKeyIBRKJHHZUWVGQD-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of 1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine (CID 114058402) is 1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for 1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for 1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine is CCC(N)c1nc(-c2cccc(F)c2F)cs1.
What is the InChIKey of 1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is IBRKJHHZUWVGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2S/c1-2-9(15)12-16-10(6-17-12)7-4-3-5-8(13)11(7)14/h3-6,9H,2,15H2,1H3.
What are the key properties of 1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine?
1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine has a molecular weight of 254.31 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 114058402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).