N-[5-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C16H20FN5OS — CID 155776211

IUPACN-[5-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CC[C@H](Cc3ncc(F)c(C)n3)C2)s1
InChIInChI=1S/C16H20FN5OS/c1-10-14(17)7-18-15(20-10)5-12-3-4-22(8-12)9-13-6-19-16(24-13)21-11(2)23/h6-7,12H,3-5,8-9H2,1-2H3,(H,19,21,23)/t12-/m1/s1
InChIKeyJHQRHPOBCWYNEU-GFCCVEGCSA-N
MW349.44 g/mol
LogP2.40
Rot. Bonds5

About N-[5-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 155776211) has the molecular formula C16H20FN5OS and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[5-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID155776211
Molecular FormulaC16H20FN5OS
Molecular Weight349.44 g/mol
Exact Mass349.14
IUPAC NameN-[5-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CC[C@H](Cc3ncc(F)c(C)n3)C2)s1
InChIInChI=1S/C16H20FN5OS/c1-10-14(17)7-18-15(20-10)5-12-3-4-22(8-12)9-13-6-19-16(24-13)21-11(2)23/h6-7,12H,3-5,8-9H2,1-2H3,(H,19,21,23)/t12-/m1/s1
InChIKeyJHQRHPOBCWYNEU-GFCCVEGCSA-N
XLogP2.40
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 ≤ 52.40
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
N-[5-[[4-[2-(4-methylpyrimidin-2-yl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377631
N-[5-[[4-[2-(6-methylpyrimidin-4-yl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377633
N-[5-[[4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377641
N-[5-[[4-[2-[6-(trifluoromethyl)pyrimidin-4-yl]ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377643
N-[5-[[4-[2-[4-(trifluoromethyl)pyrimidin-5-yl]ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377645
(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
N-[4-fluoro-5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491082
N-[5-[[(4S)-3,3-difluoro-4-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491133
N-[5-[[5-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491157

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 155776211) is N-[5-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CC[C@H](Cc3ncc(F)c(C)n3)C2)s1.
What is the InChIKey of N-[5-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is JHQRHPOBCWYNEU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20FN5OS/c1-10-14(17)7-18-15(20-10)5-12-3-4-22(8-12)9-13-6-19-16(24-13)21-11(2)23/h6-7,12H,3-5,8-9H2,1-2H3,(H,19,21,23)/t12-/m1/s1.
What are the key properties of N-[5-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(3R)-3-[(5-fluoro-4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 349.44 g/mol, XLogP of 2.40, 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-4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 155776211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).