2-[1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide

C17H18FN3O2S — CID 56819941

IUPAC2-[1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)c2cnc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C17H18FN3O2S/c18-13-4-2-1-3-12(13)16-20-10-14(24-16)17(23)21-7-5-11(6-8-21)9-15(19)22/h1-4,10-11H,5-9H2,(H2,19,22)
InChIKeyKCMRXNQRZFZHFJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.68
Rot. Bonds4

About 2-[1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide

2-[1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide (PubChem CID 56819941) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide
PubChem CID56819941
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name2-[1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)c2cnc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C17H18FN3O2S/c18-13-4-2-1-3-12(13)16-20-10-14(24-16)17(23)21-7-5-11(6-8-21)9-15(19)22/h1-4,10-11H,5-9H2,(H2,19,22)
InChIKeyKCMRXNQRZFZHFJ-UHFFFAOYSA-N
XLogP2.68
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide (CID 56819941) is 2-[1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide is NC(=O)CC1CCN(C(=O)c2cnc(-c3ccccc3F)s2)CC1.
What is the InChIKey of 2-[1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide?
The InChIKey is KCMRXNQRZFZHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c18-13-4-2-1-3-12(13)16-20-10-14(24-16)17(23)21-7-5-11(6-8-21)9-15(19)22/h1-4,10-11H,5-9H2,(H2,19,22).
What are the key properties of 2-[1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide?
2-[1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 56819941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).