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

C16H20FN5OS — CID 139491291

IUPACN-[5-[[(3S)-3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CC[C@@](C)(Cc3ncc(F)cn3)C2)s1
InChIInChI=1S/C16H20FN5OS/c1-11(23)21-15-20-8-13(24-15)9-22-4-3-16(2,10-22)5-14-18-6-12(17)7-19-14/h6-8H,3-5,9-10H2,1-2H3,(H,20,21,23)/t16-/m0/s1
InChIKeyQLFXLIQCVNGFSY-INIZCTEOSA-N
MW349.44 g/mol
LogP2.49
Rot. Bonds5

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

N-[5-[[(3S)-3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 139491291) has the molecular formula C16H20FN5OS and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[5-[[(3S)-3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(3S)-3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID139491291
Molecular FormulaC16H20FN5OS
Molecular Weight349.44 g/mol
Exact Mass349.14
IUPAC NameN-[5-[[(3S)-3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CC[C@@](C)(Cc3ncc(F)cn3)C2)s1
InChIInChI=1S/C16H20FN5OS/c1-11(23)21-15-20-8-13(24-15)9-22-4-3-16(2,10-22)5-14-18-6-12(17)7-19-14/h6-8H,3-5,9-10H2,1-2H3,(H,20,21,23)/t16-/m0/s1
InChIKeyQLFXLIQCVNGFSY-INIZCTEOSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[[2-(2,6-dimethylpyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135301919
8-[5-Methyl-2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 162351870
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
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

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3S)-3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(3S)-3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 139491291) is N-[5-[[(3S)-3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(3S)-3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(3S)-3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CC[C@@](C)(Cc3ncc(F)cn3)C2)s1.
What is the InChIKey of N-[5-[[(3S)-3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is QLFXLIQCVNGFSY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20FN5OS/c1-11(23)21-15-20-8-13(24-15)9-22-4-3-16(2,10-22)5-14-18-6-12(17)7-19-14/h6-8H,3-5,9-10H2,1-2H3,(H,20,21,23)/t16-/m0/s1.
What are the key properties of N-[5-[[(3S)-3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(3S)-3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 349.44 g/mol, XLogP of 2.49, 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-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 139491291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).