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

C15H19FN6OS — CID 146628966

IUPACN-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCN[C@H](Cc3ncc(F)cn3)C2)s1
InChIInChI=1S/C15H19FN6OS/c1-10(23)21-15-20-7-13(24-15)9-22-3-2-17-12(8-22)4-14-18-5-11(16)6-19-14/h5-7,12,17H,2-4,8-9H2,1H3,(H,20,21,23)/t12-/m1/s1
InChIKeyZKFDBHAIURQXMJ-GFCCVEGCSA-N
MW350.42 g/mol
LogP1.05
Rot. Bonds5

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

N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 146628966) has the molecular formula C15H19FN6OS and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID146628966
Molecular FormulaC15H19FN6OS
Molecular Weight350.42 g/mol
Exact Mass350.13
IUPAC NameN-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCN[C@H](Cc3ncc(F)cn3)C2)s1
InChIInChI=1S/C15H19FN6OS/c1-10(23)21-15-20-7-13(24-15)9-22-3-2-17-12(8-22)4-14-18-5-11(16)6-19-14/h5-7,12,17H,2-4,8-9H2,1H3,(H,20,21,23)/t12-/m1/s1
InChIKeyZKFDBHAIURQXMJ-GFCCVEGCSA-N
XLogP1.05
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 146628966) is N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCN[C@H](Cc3ncc(F)cn3)C2)s1.
What is the InChIKey of N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZKFDBHAIURQXMJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19FN6OS/c1-10(23)21-15-20-7-13(24-15)9-22-3-2-17-12(8-22)4-14-18-5-11(16)6-19-14/h5-7,12,17H,2-4,8-9H2,1H3,(H,20,21,23)/t12-/m1/s1.
What are the key properties of N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 350.42 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 146628966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).