5-[fluoro(pyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine

C8H12FN3S — CID 106640407

IUPAC5-[fluoro(pyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(C(F)C2CCCN2)s1
InChIInChI=1S/C8H12FN3S/c9-7(5-2-1-3-11-5)6-4-12-8(10)13-6/h4-5,7,11H,1-3H2,(H2,10,12)
InChIKeyXWEVMEIHINARRZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.49
Rot. Bonds2

About 5-[fluoro(pyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine

5-[fluoro(pyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 106640407) has the molecular formula C8H12FN3S and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-[fluoro(pyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[fluoro(pyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID106640407
Molecular FormulaC8H12FN3S
Molecular Weight201.27 g/mol
Exact Mass201.07
IUPAC Name5-[fluoro(pyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(C(F)C2CCCN2)s1
InChIInChI=1S/C8H12FN3S/c9-7(5-2-1-3-11-5)6-4-12-8(10)13-6/h4-5,7,11H,1-3H2,(H2,10,12)
InChIKeyXWEVMEIHINARRZ-UHFFFAOYSA-N
XLogP1.49
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[fluoro(pyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[fluoro(pyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine (CID 106640407) is 5-[fluoro(pyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[fluoro(pyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[fluoro(pyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine is Nc1ncc(C(F)C2CCCN2)s1.
What is the InChIKey of 5-[fluoro(pyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is XWEVMEIHINARRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3S/c9-7(5-2-1-3-11-5)6-4-12-8(10)13-6/h4-5,7,11H,1-3H2,(H2,10,12).
What are the key properties of 5-[fluoro(pyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine?
5-[fluoro(pyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 201.27 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[fluoro(pyrrolidin-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 106640407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).