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

C16H20FN5OS — CID 139491241

IUPACN-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(Cc3ncc(F)cn3)C2C)s1
InChIInChI=1S/C16H20FN5OS/c1-10-12(5-15-18-6-13(17)7-19-15)3-4-22(10)9-14-8-20-16(24-14)21-11(2)23/h6-8,10,12H,3-5,9H2,1-2H3,(H,20,21,23)
InChIKeyXHKICDGORYITLN-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.48
Rot. Bonds5

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

N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 139491241) has the molecular formula C16H20FN5OS and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID139491241
Molecular FormulaC16H20FN5OS
Molecular Weight349.44 g/mol
Exact Mass349.14
IUPAC NameN-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(Cc3ncc(F)cn3)C2C)s1
InChIInChI=1S/C16H20FN5OS/c1-10-12(5-15-18-6-13(17)7-19-15)3-4-22(10)9-14-8-20-16(24-14)21-11(2)23/h6-8,10,12H,3-5,9H2,1-2H3,(H,20,21,23)
InChIKeyXHKICDGORYITLN-UHFFFAOYSA-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-methoxypyrimidin-5-yl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377636
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
2,2,2-trifluoro-N-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide
CID 130464431
N-[5-[[3-fluoro-5-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491013

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 139491241) is N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(Cc3ncc(F)cn3)C2C)s1.
What is the InChIKey of N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XHKICDGORYITLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5OS/c1-10-12(5-15-18-6-13(17)7-19-15)3-4-22(10)9-14-8-20-16(24-14)21-11(2)23/h6-8,10,12H,3-5,9H2,1-2H3,(H,20,21,23).
What are the key properties of N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-[(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-[[3-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 139491241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).