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

C17H27FN4O2S — CID 129324590

IUPAC(2S)-N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@@H]2CN(C)CCO2)cs1
InChIInChI=1S/C17H27FN4O2S/c1-12-19-14(11-25-12)8-22-7-13(18)6-15(22)9-21(3)17(23)16-10-20(2)4-5-24-16/h11,13,15-16H,4-10H2,1-3H3/t13-,15-,16-/m0/s1
InChIKeyOZHVJXMXQRBPRQ-BPUTZDHNSA-N
MW370.49 g/mol
LogP1.15
Rot. Bonds5

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

(2S)-N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide (PubChem CID 129324590) has the molecular formula C17H27FN4O2S and a molecular weight of 370.49 g/mol. Its IUPAC name is (2S)-N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide
PubChem CID129324590
Molecular FormulaC17H27FN4O2S
Molecular Weight370.49 g/mol
Exact Mass370.18
IUPAC Name(2S)-N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@@H]2CN(C)CCO2)cs1
InChIInChI=1S/C17H27FN4O2S/c1-12-19-14(11-25-12)8-22-7-13(18)6-15(22)9-21(3)17(23)16-10-20(2)4-5-24-16/h11,13,15-16H,4-10H2,1-3H3/t13-,15-,16-/m0/s1
InChIKeyOZHVJXMXQRBPRQ-BPUTZDHNSA-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 (2S)-N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide with MolForge

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Related Compounds

2-Ethoxy-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 53623439
(3aS,7aS)-1-(2-ethoxyacetyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97460880
2-Methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 45818377
4-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]-L-prolyl}morpholine
CID 91841083
[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 126816314
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methylbutanamide
CID 128972657
N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide
CID 128974572
2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]-1-morpholin-4-ylethanone
CID 128994175
(2S)-N-[[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide
CID 129323827
(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
(3S)-N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methylbutanamide
CID 129324107
(3R)-N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-methoxy-N-methylbutanamide
CID 129324108

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide?
The IUPAC name of (2S)-N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide (CID 129324590) is (2S)-N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide is Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)[C@@H]2CN(C)CCO2)cs1.
What is the InChIKey of (2S)-N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide?
The InChIKey is OZHVJXMXQRBPRQ-BPUTZDHNSA-N. The full InChI is InChI=1S/C17H27FN4O2S/c1-12-19-14(11-25-12)8-22-7-13(18)6-15(22)9-21(3)17(23)16-10-20(2)4-5-24-16/h11,13,15-16H,4-10H2,1-3H3/t13-,15-,16-/m0/s1.
What are the key properties of (2S)-N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide?
(2S)-N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-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 (2S)-N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 129324590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).