N-[5-[[(2S,4S)-4-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C16H20FN5OS — CID 139491274

IUPACN-[5-[[(2S,4S)-4-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2C[C@H](Cc3ncc(F)cn3)C[C@@H]2C)s1
InChIInChI=1S/C16H20FN5OS/c1-10-3-12(4-15-18-5-13(17)6-19-15)8-22(10)9-14-7-20-16(24-14)21-11(2)23/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,20,21,23)/t10-,12-/m0/s1
InChIKeyLZKPBXJXRKAJNX-JQWIXIFHSA-N
MW349.44 g/mol
LogP2.48
Rot. Bonds5

About N-[5-[[(2S,4S)-4-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[(2S,4S)-4-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 139491274) has the molecular formula C16H20FN5OS and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[5-[[(2S,4S)-4-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(2S,4S)-4-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID139491274
Molecular FormulaC16H20FN5OS
Molecular Weight349.44 g/mol
Exact Mass349.14
IUPAC NameN-[5-[[(2S,4S)-4-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2C[C@H](Cc3ncc(F)cn3)C[C@@H]2C)s1
InChIInChI=1S/C16H20FN5OS/c1-10-3-12(4-15-18-5-13(17)6-19-15)8-22(10)9-14-7-20-16(24-14)21-11(2)23/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,20,21,23)/t10-,12-/m0/s1
InChIKeyLZKPBXJXRKAJNX-JQWIXIFHSA-N
XLogP2.48
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[[3-(5-methylsulfanylpyrimidin-2-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146415222
N-[5-[[4-[2-(5-methylpyrimidin-2-yl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377632
N-[5-[[4-[2-(2-methylpyrimidin-5-yl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377634
N-[5-[[4-[2-[2-(dimethylamino)pyrimidin-5-yl]ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377639
N-[5-[[4-[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377640
N-[5-[[4-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377642
N-[5-[[4-[2-[2-(trifluoromethyl)pyrimidin-5-yl]ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377644
(r)-N-(5-((3-((5-fluoropyrimidin-2-yl)methyl)piperidin-1-yl)methyl)thiazol-2-yl)acetamide
CID 155776233
US20240308995, Example 1-86
CID 153550426
N-[5-[[3-fluoro-5-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491013
N-[5-[[(3S)-3-fluoro-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491052
N-[4-fluoro-5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491082

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2S,4S)-4-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(2S,4S)-4-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 139491274) is N-[5-[[(2S,4S)-4-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(2S,4S)-4-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(2S,4S)-4-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2C[C@H](Cc3ncc(F)cn3)C[C@@H]2C)s1.
What is the InChIKey of N-[5-[[(2S,4S)-4-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is LZKPBXJXRKAJNX-JQWIXIFHSA-N. The full InChI is InChI=1S/C16H20FN5OS/c1-10-3-12(4-15-18-5-13(17)6-19-15)8-22(10)9-14-7-20-16(24-14)21-11(2)23/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,20,21,23)/t10-,12-/m0/s1.
What are the key properties of N-[5-[[(2S,4S)-4-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(2S,4S)-4-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 349.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2S,4S)-4-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 139491274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).