N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C15H17FN4O2S — CID 147474976

IUPACN-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CC[C@@H](Oc3ccc(F)cn3)C2)s1
InChIInChI=1S/C15H17FN4O2S/c1-10(21)19-15-18-7-13(23-15)9-20-5-4-12(8-20)22-14-3-2-11(16)6-17-14/h2-3,6-7,12H,4-5,8-9H2,1H3,(H,18,19,21)/t12-/m1/s1
InChIKeyFCMWRXGRQZIQOD-GFCCVEGCSA-N
MW336.39 g/mol
LogP2.29
Rot. Bonds5

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

N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 147474976) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID147474976
Molecular FormulaC15H17FN4O2S
Molecular Weight336.39 g/mol
Exact Mass336.11
IUPAC NameN-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CC[C@@H](Oc3ccc(F)cn3)C2)s1
InChIInChI=1S/C15H17FN4O2S/c1-10(21)19-15-18-7-13(23-15)9-20-5-4-12(8-20)22-14-3-2-11(16)6-17-14/h2-3,6-7,12H,4-5,8-9H2,1H3,(H,18,19,21)/t12-/m1/s1
InChIKeyFCMWRXGRQZIQOD-GFCCVEGCSA-N
XLogP2.29
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-[(4-chloro-2-pyridyl)oxy]-N-(5-methylthiazol-2-yl)butanamide
CID 155530940
4-[(6-chloro-2-pyridyl)oxy]-N-(5-methylthiazol-2-yl)butanamide
CID 155553594
N-[5-[[4-[2-(6-methoxy-2-pyridinyl)ethynyl]-4-propoxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177311787
N-(5-methylthiazol-2-yl)-4-[[4-(trifluoromethyl)-2-pyridyl]oxy]butanamide
CID 155521424
N-(5-methylthiazol-2-yl)-4-[[6-(trifluoromethyl)-2-pyridyl]oxy]butanamide
CID 155544176
4-[(4-cyano-2-pyridyl)oxy]-N-(5-methylthiazol-2-yl)butanamide
CID 155552810
N-[5-[[4-ethoxy-4-[2-(6-methoxy-2-pyridinyl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377615
US20240308995, Example 1-52
CID 146448588
US20240308995, Example 1-5
CID 146448589

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 147474976) is N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CC[C@@H](Oc3ccc(F)cn3)C2)s1.
What is the InChIKey of N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is FCMWRXGRQZIQOD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c1-10(21)19-15-18-7-13(23-15)9-20-5-4-12(8-20)22-14-3-2-11(16)6-17-14/h2-3,6-7,12H,4-5,8-9H2,1H3,(H,18,19,21)/t12-/m1/s1.
What are the key properties of N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 336.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(3R)-3-[(5-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 147474976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).