(2R)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide

C17H27FN4O2S — CID 129323828

IUPAC(2R)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide
SMILESCc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@H]1CN(C)CCO1
InChIInChI=1S/C17H27FN4O2S/c1-12-16(25-11-19-12)10-22-7-13(18)6-14(22)8-21(3)17(23)15-9-20(2)4-5-24-15/h11,13-15H,4-10H2,1-3H3/t13-,14-,15+/m0/s1
InChIKeyFSEJGMDPBLQTBG-SOUVJXGZSA-N
MW370.49 g/mol
LogP1.15
Rot. Bonds5

About (2R)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide

(2R)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide (PubChem CID 129323828) has the molecular formula C17H27FN4O2S and a molecular weight of 370.49 g/mol. Its IUPAC name is (2R)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide
PubChem CID129323828
Molecular FormulaC17H27FN4O2S
Molecular Weight370.49 g/mol
Exact Mass370.18
IUPAC Name(2R)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide
SMILESCc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@H]1CN(C)CCO1
InChIInChI=1S/C17H27FN4O2S/c1-12-16(25-11-19-12)10-22-7-13(18)6-14(22)8-21(3)17(23)15-9-20(2)4-5-24-15/h11,13-15H,4-10H2,1-3H3/t13-,14-,15+/m0/s1
InChIKeyFSEJGMDPBLQTBG-SOUVJXGZSA-N
XLogP1.15
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide (CID 129323828) is (2R)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide is Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@H]1CN(C)CCO1.
What is the InChIKey of (2R)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide?
The InChIKey is FSEJGMDPBLQTBG-SOUVJXGZSA-N. The full InChI is InChI=1S/C17H27FN4O2S/c1-12-16(25-11-19-12)10-22-7-13(18)6-14(22)8-21(3)17(23)15-9-20(2)4-5-24-15/h11,13-15H,4-10H2,1-3H3/t13-,14-,15+/m0/s1.
What are the key properties of (2R)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide?
(2R)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide has a molecular weight of 370.49 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 129323828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).