[1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol

C9H14FN3OS — CID 120904932

IUPAC[1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol
SMILESNc1ncc(CN2CC(F)CC2CO)s1
InChIInChI=1S/C9H14FN3OS/c10-6-1-7(5-14)13(3-6)4-8-2-12-9(11)15-8/h2,6-7,14H,1,3-5H2,(H2,11,12)
InChIKeyHUQDAJLVDDRIAW-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.63
Rot. Bonds3

About [1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol

[1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol (PubChem CID 120904932) has the molecular formula C9H14FN3OS and a molecular weight of 231.30 g/mol. Its IUPAC name is [1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol
PubChem CID120904932
Molecular FormulaC9H14FN3OS
Molecular Weight231.30 g/mol
Exact Mass231.08
IUPAC Name[1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol
SMILESNc1ncc(CN2CC(F)CC2CO)s1
InChIInChI=1S/C9H14FN3OS/c10-6-1-7(5-14)13(3-6)4-8-2-12-9(11)15-8/h2,6-7,14H,1,3-5H2,(H2,11,12)
InChIKeyHUQDAJLVDDRIAW-UHFFFAOYSA-N
XLogP0.63
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol (CID 120904932) is [1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol is Nc1ncc(CN2CC(F)CC2CO)s1.
What is the InChIKey of [1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol?
The InChIKey is HUQDAJLVDDRIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3OS/c10-6-1-7(5-14)13(3-6)4-8-2-12-9(11)15-8/h2,6-7,14H,1,3-5H2,(H2,11,12).
What are the key properties of [1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol?
[1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol has a molecular weight of 231.30 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 120904932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).