N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide

C17H22FN5OS — CID 155776226

IUPACN-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1ncc(CN2CCC[C@H](Cc3ncc(F)cn3)C2)s1
InChIInChI=1S/C17H22FN5OS/c1-12(24)22(2)17-21-9-15(25-17)11-23-5-3-4-13(10-23)6-16-19-7-14(18)8-20-16/h7-9,13H,3-6,10-11H2,1-2H3/t13-/m1/s1
InChIKeyRDKTUTDCJUPUJC-CYBMUJFWSA-N
MW363.46 g/mol
LogP2.51
Rot. Bonds5

About N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide

N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide (PubChem CID 155776226) has the molecular formula C17H22FN5OS and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
PubChem CID155776226
Molecular FormulaC17H22FN5OS
Molecular Weight363.46 g/mol
Exact Mass363.15
IUPAC NameN-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1ncc(CN2CCC[C@H](Cc3ncc(F)cn3)C2)s1
InChIInChI=1S/C17H22FN5OS/c1-12(24)22(2)17-21-9-15(25-17)11-23-5-3-4-13(10-23)6-16-19-7-14(18)8-20-16/h7-9,13H,3-6,10-11H2,1-2H3/t13-/m1/s1
InChIKeyRDKTUTDCJUPUJC-CYBMUJFWSA-N
XLogP2.51
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The IUPAC name of N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide (CID 155776226) is N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The canonical SMILES for N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide is CC(=O)N(C)c1ncc(CN2CCC[C@H](Cc3ncc(F)cn3)C2)s1.
What is the InChIKey of N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The InChIKey is RDKTUTDCJUPUJC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22FN5OS/c1-12(24)22(2)17-21-9-15(25-17)11-23-5-3-4-13(10-23)6-16-19-7-14(18)8-20-16/h7-9,13H,3-6,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide has a molecular weight of 363.46 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 155776226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).