N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide

C18H24FN5OS — CID 139500159

IUPACN-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2CCC[C@H](Cc3cc(C)nc(C)n3)C2)s1
InChIInChI=1S/C18H24FN5OS/c1-11-7-15(21-12(2)20-11)8-14-5-4-6-24(9-14)10-16-17(19)23-18(26-16)22-13(3)25/h7,14H,4-6,8-10H2,1-3H3,(H,22,23,25)/t14-/m1/s1
InChIKeyOZZGQCDDUOHFGF-CQSZACIVSA-N
MW377.49 g/mol
LogP3.10
Rot. Bonds5

About N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide

N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide (PubChem CID 139500159) has the molecular formula C18H24FN5OS and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide
PubChem CID139500159
Molecular FormulaC18H24FN5OS
Molecular Weight377.49 g/mol
Exact Mass377.17
IUPAC NameN-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2CCC[C@H](Cc3cc(C)nc(C)n3)C2)s1
InChIInChI=1S/C18H24FN5OS/c1-11-7-15(21-12(2)20-11)8-14-5-4-6-24(9-14)10-16-17(19)23-18(26-16)22-13(3)25/h7,14H,4-6,8-10H2,1-3H3,(H,22,23,25)/t14-/m1/s1
InChIKeyOZZGQCDDUOHFGF-CQSZACIVSA-N
XLogP3.10
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide (CID 139500159) is N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(F)c(CN2CCC[C@H](Cc3cc(C)nc(C)n3)C2)s1.
What is the InChIKey of N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide?
The InChIKey is OZZGQCDDUOHFGF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24FN5OS/c1-11-7-15(21-12(2)20-11)8-14-5-4-6-24(9-14)10-16-17(19)23-18(26-16)22-13(3)25/h7,14H,4-6,8-10H2,1-3H3,(H,22,23,25)/t14-/m1/s1.
What are the key properties of N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide?
N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 3.10, 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-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 139500159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).