1-[2-(fluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine

C7H9FN2S — CID 84766297

IUPAC1-[2-(fluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine
SMILESNC1(c2csc(CF)n2)CC1
InChIInChI=1S/C7H9FN2S/c8-3-6-10-5(4-11-6)7(9)1-2-7/h4H,1-3,9H2
InChIKeyLIKUJAGQSRVNBG-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.56
Rot. Bonds2

About 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine

1-[2-(fluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine (PubChem CID 84766297) has the molecular formula C7H9FN2S and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(fluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine
PubChem CID84766297
Molecular FormulaC7H9FN2S
Molecular Weight172.23 g/mol
Exact Mass172.05
IUPAC Name1-[2-(fluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine
SMILESNC1(c2csc(CF)n2)CC1
InChIInChI=1S/C7H9FN2S/c8-3-6-10-5(4-11-6)7(9)1-2-7/h4H,1-3,9H2
InChIKeyLIKUJAGQSRVNBG-UHFFFAOYSA-N
XLogP1.56
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine (CID 84766297) is 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine is NC1(c2csc(CF)n2)CC1.
What is the InChIKey of 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine?
The InChIKey is LIKUJAGQSRVNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2S/c8-3-6-10-5(4-11-6)7(9)1-2-7/h4H,1-3,9H2.
What are the key properties of 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine?
1-[2-(fluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine has a molecular weight of 172.23 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine is sourced from PubChem (CID 84766297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).