[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanamine

C9H14FN3S — CID 119030864

IUPAC[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1C[C@H](F)CN1Cc1nccs1
InChIInChI=1S/C9H14FN3S/c10-7-3-8(4-11)13(5-7)6-9-12-1-2-14-9/h1-2,7-8H,3-6,11H2/t7-,8-/m0/s1
InChIKeyCIMFTRHSKXRLOO-YUMQZZPRSA-N
MW215.30 g/mol
LogP1.01
Rot. Bonds3

About [(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanamine

[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanamine (PubChem CID 119030864) has the molecular formula C9H14FN3S and a molecular weight of 215.30 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanamine
PubChem CID119030864
Molecular FormulaC9H14FN3S
Molecular Weight215.30 g/mol
Exact Mass215.09
IUPAC Name[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1C[C@H](F)CN1Cc1nccs1
InChIInChI=1S/C9H14FN3S/c10-7-3-8(4-11)13(5-7)6-9-12-1-2-14-9/h1-2,7-8H,3-6,11H2/t7-,8-/m0/s1
InChIKeyCIMFTRHSKXRLOO-YUMQZZPRSA-N
XLogP1.01
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanamine (CID 119030864) is [(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanamine is NC[C@@H]1C[C@H](F)CN1Cc1nccs1.
What is the InChIKey of [(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanamine?
The InChIKey is CIMFTRHSKXRLOO-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H14FN3S/c10-7-3-8(4-11)13(5-7)6-9-12-1-2-14-9/h1-2,7-8H,3-6,11H2/t7-,8-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanamine?
[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanamine has a molecular weight of 215.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 119030864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).