(3S)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyloxolan-3-amine

C15H24FN3OS — CID 124881239

IUPAC(3S)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyloxolan-3-amine
SMILESCc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)[C@H]1CCOC1
InChIInChI=1S/C15H24FN3OS/c1-11-15(21-10-17-11)8-19-6-12(16)5-14(19)7-18(2)13-3-4-20-9-13/h10,12-14H,3-9H2,1-2H3/t12-,13-,14-/m0/s1
InChIKeyOJJAVWHXEYLDHK-IHRRRGAJSA-N
MW313.44 g/mol
LogP2.08
Rot. Bonds5

About (3S)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyloxolan-3-amine

(3S)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyloxolan-3-amine (PubChem CID 124881239) has the molecular formula C15H24FN3OS and a molecular weight of 313.44 g/mol. Its IUPAC name is (3S)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyloxolan-3-amine
PubChem CID124881239
Molecular FormulaC15H24FN3OS
Molecular Weight313.44 g/mol
Exact Mass313.16
IUPAC Name(3S)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyloxolan-3-amine
SMILESCc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)[C@H]1CCOC1
InChIInChI=1S/C15H24FN3OS/c1-11-15(21-10-17-11)8-19-6-12(16)5-14(19)7-18(2)13-3-4-20-9-13/h10,12-14H,3-9H2,1-2H3/t12-,13-,14-/m0/s1
InChIKeyOJJAVWHXEYLDHK-IHRRRGAJSA-N
XLogP2.08
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyloxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyloxolan-3-amine?
The IUPAC name of (3S)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyloxolan-3-amine (CID 124881239) is (3S)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for (3S)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyloxolan-3-amine?
The canonical SMILES for (3S)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyloxolan-3-amine is Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyloxolan-3-amine?
The InChIKey is OJJAVWHXEYLDHK-IHRRRGAJSA-N. The full InChI is InChI=1S/C15H24FN3OS/c1-11-15(21-10-17-11)8-19-6-12(16)5-14(19)7-18(2)13-3-4-20-9-13/h10,12-14H,3-9H2,1-2H3/t12-,13-,14-/m0/s1.
What are the key properties of (3S)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyloxolan-3-amine?
(3S)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyloxolan-3-amine has a molecular weight of 313.44 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 124881239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).