N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide

C17H21FN4O2S — CID 146448601

IUPACN-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2CC[C@H](Oc3cc(C)nc(C)c3)C2)s1
InChIInChI=1S/C17H21FN4O2S/c1-10-6-14(7-11(2)19-10)24-13-4-5-22(8-13)9-15-16(18)21-17(25-15)20-12(3)23/h6-7,13H,4-5,8-9H2,1-3H3,(H,20,21,23)/t13-/m0/s1
InChIKeyRQBVAUTZEGFMRY-ZDUSSCGKSA-N
MW364.45 g/mol
LogP2.91
Rot. Bonds5

About N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide

N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide (PubChem CID 146448601) has the molecular formula C17H21FN4O2S and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide
PubChem CID146448601
Molecular FormulaC17H21FN4O2S
Molecular Weight364.45 g/mol
Exact Mass364.14
IUPAC NameN-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2CC[C@H](Oc3cc(C)nc(C)c3)C2)s1
InChIInChI=1S/C17H21FN4O2S/c1-10-6-14(7-11(2)19-10)24-13-4-5-22(8-13)9-15-16(18)21-17(25-15)20-12(3)23/h6-7,13H,4-5,8-9H2,1-3H3,(H,20,21,23)/t13-/m0/s1
InChIKeyRQBVAUTZEGFMRY-ZDUSSCGKSA-N
XLogP2.91
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162650153
N-[5-[[(3S,5S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162650547
N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxy]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162661540
N-[5-[[(3R,5S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162674595
US20240308995, Example 1-52
CID 146448588
US20240308995, Example 1-56
CID 146448590
US20240308995, Example 1-6
CID 147474976
US20240308995, Example 1-99
CID 148256762
US20240308995, Example 1-114
CID 148441798
US20240308995, Example 1-54
CID 148736388
US20240308995, Example 1-101
CID 148779699
US20240308995, Example 1-51
CID 149090854

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide (CID 146448601) is N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(F)c(CN2CC[C@H](Oc3cc(C)nc(C)c3)C2)s1.
What is the InChIKey of N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide?
The InChIKey is RQBVAUTZEGFMRY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21FN4O2S/c1-10-6-14(7-11(2)19-10)24-13-4-5-22(8-13)9-15-16(18)21-17(25-15)20-12(3)23/h6-7,13H,4-5,8-9H2,1-3H3,(H,20,21,23)/t13-/m0/s1.
What are the key properties of N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide?
N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 146448601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).