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

C22H22FN3OS — CID 4267628

IUPAC2-(4-fluorophenyl)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cccc(-c2csc(N3CCCCC3)n2)c1
InChIInChI=1S/C22H22FN3OS/c23-18-9-7-16(8-10-18)13-21(27)24-19-6-4-5-17(14-19)20-15-28-22(25-20)26-11-2-1-3-12-26/h4-10,14-15H,1-3,11-13H2,(H,24,27)
InChIKeyNRPFYQRVFWKIKA-UHFFFAOYSA-N
MW395.50 g/mol
LogP5.12
Rot. Bonds5

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

2-(4-fluorophenyl)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 4267628) has the molecular formula C22H22FN3OS and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID4267628
Molecular FormulaC22H22FN3OS
Molecular Weight395.50 g/mol
Exact Mass395.15
IUPAC Name2-(4-fluorophenyl)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cccc(-c2csc(N3CCCCC3)n2)c1
InChIInChI=1S/C22H22FN3OS/c23-18-9-7-16(8-10-18)13-21(27)24-19-6-4-5-17(14-19)20-15-28-22(25-20)26-11-2-1-3-12-26/h4-10,14-15H,1-3,11-13H2,(H,24,27)
InChIKeyNRPFYQRVFWKIKA-UHFFFAOYSA-N
XLogP5.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 810541
3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 810349
N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]nonanamide
CID 42663636
2-phenyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4224043
2-(4-chlorophenoxy)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 1195308
4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 3443960
3-bromo-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1195316
4-bromo-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 4215740
3-[2-(azepan-1-yl)-1,3-thiazol-4-yl]benzoic acid
CID 79156493
(2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 7265294
(2R)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 7265295
(2S)-2-ethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide
CID 7411488

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide (CID 4267628) is 2-(4-fluorophenyl)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide is O=C(Cc1ccc(F)cc1)Nc1cccc(-c2csc(N3CCCCC3)n2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is NRPFYQRVFWKIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3OS/c23-18-9-7-16(8-10-18)13-21(27)24-19-6-4-5-17(14-19)20-15-28-22(25-20)26-11-2-1-3-12-26/h4-10,14-15H,1-3,11-13H2,(H,24,27).
What are the key properties of 2-(4-fluorophenyl)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide?
2-(4-fluorophenyl)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 4267628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).