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

C17H22FN5OS — CID 139491157

IUPACN-[5-[[5-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CC(Cc3ncc(F)cn3)CCC2C)s1
InChIInChI=1S/C17H22FN5OS/c1-11-3-4-13(5-16-19-6-14(18)7-20-16)9-23(11)10-15-8-21-17(25-15)22-12(2)24/h6-8,11,13H,3-5,9-10H2,1-2H3,(H,21,22,24)
InChIKeyVTBHMYRKBHHQDR-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.87
Rot. Bonds5

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

N-[5-[[5-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 139491157) has the molecular formula C17H22FN5OS and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[5-[[5-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[5-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID139491157
Molecular FormulaC17H22FN5OS
Molecular Weight363.46 g/mol
Exact Mass363.15
IUPAC NameN-[5-[[5-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CC(Cc3ncc(F)cn3)CCC2C)s1
InChIInChI=1S/C17H22FN5OS/c1-11-3-4-13(5-16-19-6-14(18)7-20-16)9-23(11)10-15-8-21-17(25-15)22-12(2)24/h6-8,11,13H,3-5,9-10H2,1-2H3,(H,21,22,24)
InChIKeyVTBHMYRKBHHQDR-UHFFFAOYSA-N
XLogP2.87
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[5-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 139491157) is N-[5-[[5-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[5-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[5-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CC(Cc3ncc(F)cn3)CCC2C)s1.
What is the InChIKey of N-[5-[[5-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is VTBHMYRKBHHQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5OS/c1-11-3-4-13(5-16-19-6-14(18)7-20-16)9-23(11)10-15-8-21-17(25-15)22-12(2)24/h6-8,11,13H,3-5,9-10H2,1-2H3,(H,21,22,24).
What are the key properties of N-[5-[[5-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[5-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-[(5-fluoropyrimidin-2-yl)methyl]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 139491157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).