N-(4-fluorophenyl)-N-[[2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]methyl]acetamide

C18H22FN3O2S — CID 59542751

IUPACN-(4-fluorophenyl)-N-[[2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]methyl]acetamide
SMILESCC(=O)N(Cc1csc(N2CCC(CO)CC2)n1)c1ccc(F)cc1
InChIInChI=1S/C18H22FN3O2S/c1-13(24)22(17-4-2-15(19)3-5-17)10-16-12-25-18(20-16)21-8-6-14(11-23)7-9-21/h2-5,12,14,23H,6-11H2,1H3
InChIKeyBZFYHFAAUMXNJQ-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.04
Rot. Bonds5

About N-(4-fluorophenyl)-N-[[2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]methyl]acetamide

N-(4-fluorophenyl)-N-[[2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]methyl]acetamide (PubChem CID 59542751) has the molecular formula C18H22FN3O2S and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[[2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[[2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]methyl]acetamide
PubChem CID59542751
Molecular FormulaC18H22FN3O2S
Molecular Weight363.46 g/mol
Exact Mass363.14
IUPAC NameN-(4-fluorophenyl)-N-[[2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]methyl]acetamide
SMILESCC(=O)N(Cc1csc(N2CCC(CO)CC2)n1)c1ccc(F)cc1
InChIInChI=1S/C18H22FN3O2S/c1-13(24)22(17-4-2-15(19)3-5-17)10-16-12-25-18(20-16)21-8-6-14(11-23)7-9-21/h2-5,12,14,23H,6-11H2,1H3
InChIKeyBZFYHFAAUMXNJQ-UHFFFAOYSA-N
XLogP3.04
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[[2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-N-[[2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]methyl]acetamide (CID 59542751) is N-(4-fluorophenyl)-N-[[2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[[2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[[2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]methyl]acetamide is CC(=O)N(Cc1csc(N2CCC(CO)CC2)n1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-[[2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The InChIKey is BZFYHFAAUMXNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2S/c1-13(24)22(17-4-2-15(19)3-5-17)10-16-12-25-18(20-16)21-8-6-14(11-23)7-9-21/h2-5,12,14,23H,6-11H2,1H3.
What are the key properties of N-(4-fluorophenyl)-N-[[2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]methyl]acetamide?
N-(4-fluorophenyl)-N-[[2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]methyl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[[2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]methyl]acetamide is sourced from PubChem (CID 59542751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).