[2,3-difluoro-4-[2-(1,3-thiazol-4-yl)ethyl]phenyl]methanamine

C12H12F2N2S — CID 150758174

IUPAC[2,3-difluoro-4-[2-(1,3-thiazol-4-yl)ethyl]phenyl]methanamine
SMILESNCc1ccc(CCc2cscn2)c(F)c1F
InChIInChI=1S/C12H12F2N2S/c13-11-8(1-2-9(5-15)12(11)14)3-4-10-6-17-7-16-10/h1-2,6-7H,3-5,15H2
InChIKeyJXHCZCXAQWZOTA-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.67
Rot. Bonds4

About [2,3-difluoro-4-[2-(1,3-thiazol-4-yl)ethyl]phenyl]methanamine

[2,3-difluoro-4-[2-(1,3-thiazol-4-yl)ethyl]phenyl]methanamine (PubChem CID 150758174) has the molecular formula C12H12F2N2S and a molecular weight of 254.31 g/mol. Its IUPAC name is [2,3-difluoro-4-[2-(1,3-thiazol-4-yl)ethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2,3-difluoro-4-[2-(1,3-thiazol-4-yl)ethyl]phenyl]methanamine
PubChem CID150758174
Molecular FormulaC12H12F2N2S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name[2,3-difluoro-4-[2-(1,3-thiazol-4-yl)ethyl]phenyl]methanamine
SMILESNCc1ccc(CCc2cscn2)c(F)c1F
InChIInChI=1S/C12H12F2N2S/c13-11-8(1-2-9(5-15)12(11)14)3-4-10-6-17-7-16-10/h1-2,6-7H,3-5,15H2
InChIKeyJXHCZCXAQWZOTA-UHFFFAOYSA-N
XLogP2.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,3-difluoro-4-[2-(1,3-thiazol-4-yl)ethyl]phenyl]methanamine?
The IUPAC name of [2,3-difluoro-4-[2-(1,3-thiazol-4-yl)ethyl]phenyl]methanamine (CID 150758174) is [2,3-difluoro-4-[2-(1,3-thiazol-4-yl)ethyl]phenyl]methanamine.
What is the SMILES notation for [2,3-difluoro-4-[2-(1,3-thiazol-4-yl)ethyl]phenyl]methanamine?
The canonical SMILES for [2,3-difluoro-4-[2-(1,3-thiazol-4-yl)ethyl]phenyl]methanamine is NCc1ccc(CCc2cscn2)c(F)c1F.
What is the InChIKey of [2,3-difluoro-4-[2-(1,3-thiazol-4-yl)ethyl]phenyl]methanamine?
The InChIKey is JXHCZCXAQWZOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2S/c13-11-8(1-2-9(5-15)12(11)14)3-4-10-6-17-7-16-10/h1-2,6-7H,3-5,15H2.
What are the key properties of [2,3-difluoro-4-[2-(1,3-thiazol-4-yl)ethyl]phenyl]methanamine?
[2,3-difluoro-4-[2-(1,3-thiazol-4-yl)ethyl]phenyl]methanamine has a molecular weight of 254.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-difluoro-4-[2-(1,3-thiazol-4-yl)ethyl]phenyl]methanamine is sourced from PubChem (CID 150758174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).