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

C12H12F2N2S — CID 82541967

IUPAC1-[4-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(-c2cc(F)cc(F)c2)c(C(C)N)s1
InChIInChI=1S/C12H12F2N2S/c1-6(15)12-11(16-7(2)17-12)8-3-9(13)5-10(14)4-8/h3-6H,15H2,1-2H3
InChIKeyPIUYJUNQUCBPTR-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.42
Rot. Bonds2

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

1-[4-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 82541967) has the molecular formula C12H12F2N2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-[4-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID82541967
Molecular FormulaC12H12F2N2S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-[4-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(-c2cc(F)cc(F)c2)c(C(C)N)s1
InChIInChI=1S/C12H12F2N2S/c1-6(15)12-11(16-7(2)17-12)8-3-9(13)5-10(14)4-8/h3-6H,15H2,1-2H3
InChIKeyPIUYJUNQUCBPTR-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[4-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine (CID 82541967) is 1-[4-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine is Cc1nc(-c2cc(F)cc(F)c2)c(C(C)N)s1.
What is the InChIKey of 1-[4-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is PIUYJUNQUCBPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2S/c1-6(15)12-11(16-7(2)17-12)8-3-9(13)5-10(14)4-8/h3-6H,15H2,1-2H3.
What are the key properties of 1-[4-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine?
1-[4-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 254.31 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82541967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).