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

C10H16FN3S — CID 119030853

IUPAC[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN)cs1
InChIInChI=1S/C10H16FN3S/c1-7-13-9(6-15-7)5-14-4-8(11)2-10(14)3-12/h6,8,10H,2-5,12H2,1H3/t8-,10-/m0/s1
InChIKeyVIPXLPYFNQHHKS-WPRPVWTQSA-N
MW229.32 g/mol
LogP1.32
Rot. Bonds3

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

[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanamine (PubChem CID 119030853) has the molecular formula C10H16FN3S and a molecular weight of 229.32 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanamine
PubChem CID119030853
Molecular FormulaC10H16FN3S
Molecular Weight229.32 g/mol
Exact Mass229.10
IUPAC Name[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN)cs1
InChIInChI=1S/C10H16FN3S/c1-7-13-9(6-15-7)5-14-4-8(11)2-10(14)3-12/h6,8,10H,2-5,12H2,1H3/t8-,10-/m0/s1
InChIKeyVIPXLPYFNQHHKS-WPRPVWTQSA-N
XLogP1.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanamine with MolForge

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Related Compounds

1-((2-Methyl-1,3-thiazol-4-yl)methyl)piperazine
CID 16227460
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane
CID 28781808
{1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
CID 50987749
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidine
CID 5019947
4-Methyl-2-(pyrrolidin-2-yl)-1,3-thiazole
CID 22256522
2-Propan-2-yl-4-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 75370197
4-Methyl-2-((pyrrolidin-2-yl)methyl)-1,3-thiazole
CID 24262084
2-methyl-4-((2S)-pyrrolidin-2-yl)-1,3-thiazole
CID 55296267
2-Methyl-4-(pyrrolidin-2-yl)-1,3-thiazole
CID 55297996
2-[(2-Butyl-1,3-thiazol-4-yl)methyl-cyclopropylamino]acetonitrile
CID 51103361
2-[(2-Butyl-1,3-thiazol-4-yl)methyl-methylamino]acetonitrile
CID 53568934
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 61295888

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanamine (CID 119030853) is [(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanamine is Cc1nc(CN2C[C@@H](F)C[C@H]2CN)cs1.
What is the InChIKey of [(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is VIPXLPYFNQHHKS-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H16FN3S/c1-7-13-9(6-15-7)5-14-4-8(11)2-10(14)3-12/h6,8,10H,2-5,12H2,1H3/t8-,10-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanamine?
[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 229.32 g/mol, XLogP of 1.32, 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-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 119030853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).