1,1-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine

C8H12F2N2S — CID 102869534

IUPAC1,1-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine
SMILESCC(NCCc1nccs1)C(F)F
InChIInChI=1S/C8H12F2N2S/c1-6(8(9)10)11-3-2-7-12-4-5-13-7/h4-6,8,11H,2-3H2,1H3
InChIKeyBQRYPSZNVSCSQG-UHFFFAOYSA-N
MW206.26 g/mol
LogP1.93
Rot. Bonds5

About 1,1-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine

1,1-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine (PubChem CID 102869534) has the molecular formula C8H12F2N2S and a molecular weight of 206.26 g/mol. Its IUPAC name is 1,1-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine
PubChem CID102869534
Molecular FormulaC8H12F2N2S
Molecular Weight206.26 g/mol
Exact Mass206.07
IUPAC Name1,1-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine
SMILESCC(NCCc1nccs1)C(F)F
InChIInChI=1S/C8H12F2N2S/c1-6(8(9)10)11-3-2-7-12-4-5-13-7/h4-6,8,11H,2-3H2,1H3
InChIKeyBQRYPSZNVSCSQG-UHFFFAOYSA-N
XLogP1.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Thiazolylethylamine
CID 87653
2-(1,3-Thiazol-2-yl)ethan-1-amine dihydrochloride
CID 45480390
N-Cyclopropyl-2-thiazolemethanamine
CID 26722593
Methyl[2-(1,3-thiazol-2-yl)ethyl]amine
CID 10012009
3-(1,3-Thiazol-2-yl)propan-1-amine
CID 11686921
3-(1,3-Thiazol-2-yl)propan-1-amine dihydrochloride
CID 13499357
1-(1,3-Thiazol-2-yl)ethan-1-amine
CID 19896985
2-(1,3-Thiazol-2-yl)propan-1-amine
CID 24261996
2-(1,3-Thiazol-2-yl)propan-2-amine
CID 28286203
2-(1,3-Thiazol-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 44120524
1-[1-(1,3-Thiazol-2-yl)ethyl]piperazine
CID 45789030
2-methyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine dihydrochloride
CID 46784224

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of 1,1-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine (CID 102869534) is 1,1-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine is CC(NCCc1nccs1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine?
The InChIKey is BQRYPSZNVSCSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2S/c1-6(8(9)10)11-3-2-7-12-4-5-13-7/h4-6,8,11H,2-3H2,1H3.
What are the key properties of 1,1-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine?
1,1-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine has a molecular weight of 206.26 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 102869534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).