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

C12H12F2N2S — CID 61338995

IUPAC2-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-amine
SMILESCC(C)(N)c1nc(-c2ccc(F)cc2F)cs1
InChIInChI=1S/C12H12F2N2S/c1-12(2,15)11-16-10(6-17-11)8-4-3-7(13)5-9(8)14/h3-6H,15H2,1-2H3
InChIKeyHYRMYUFFRTYZEI-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.28
Rot. Bonds2

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

2-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-amine (PubChem CID 61338995) has the molecular formula C12H12F2N2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-amine
PubChem CID61338995
Molecular FormulaC12H12F2N2S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-amine
SMILESCC(C)(N)c1nc(-c2ccc(F)cc2F)cs1
InChIInChI=1S/C12H12F2N2S/c1-12(2,15)11-16-10(6-17-11)8-4-3-7(13)5-9(8)14/h3-6H,15H2,1-2H3
InChIKeyHYRMYUFFRTYZEI-UHFFFAOYSA-N
XLogP3.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 60642208
4-(2,4-difluorophenyl)-2-(2-methylphenyl)-1,3-thiazole
CID 19589589
4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 58046583
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 61338205
2-(azetidin-3-yl)-4-(2,4-difluorophenyl)-1,3-thiazole
CID 116965323
2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 61338037
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966432
2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 61336472
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-propan-2-ylurea
CID 156560492
[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-phenylmethanone
CID 63102442
1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
CID 116964955
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine
CID 61337891

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-amine?
The IUPAC name of 2-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-amine (CID 61338995) is 2-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-amine.
What is the SMILES notation for 2-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-amine?
The canonical SMILES for 2-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-amine is CC(C)(N)c1nc(-c2ccc(F)cc2F)cs1.
What is the InChIKey of 2-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-amine?
The InChIKey is HYRMYUFFRTYZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2S/c1-12(2,15)11-16-10(6-17-11)8-4-3-7(13)5-9(8)14/h3-6H,15H2,1-2H3.
What are the key properties of 2-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-amine?
2-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-amine has a molecular weight of 254.31 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-amine is sourced from PubChem (CID 61338995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).