N-(1-benzylpiperidin-4-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide

C23H25FN4OS — CID 27377901

IUPACN-(1-benzylpiperidin-4-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(Nc2ccc(F)cc2)n1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H25FN4OS/c24-18-6-8-19(9-7-18)26-23-27-21(16-30-23)14-22(29)25-20-10-12-28(13-11-20)15-17-4-2-1-3-5-17/h1-9,16,20H,10-15H2,(H,25,29)(H,26,27)
InChIKeyUIAARDMPVKYGAR-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.35
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide

N-(1-benzylpiperidin-4-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide (PubChem CID 27377901) has the molecular formula C23H25FN4OS and a molecular weight of 424.55 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
PubChem CID27377901
Molecular FormulaC23H25FN4OS
Molecular Weight424.55 g/mol
Exact Mass424.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(Nc2ccc(F)cc2)n1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H25FN4OS/c24-18-6-8-19(9-7-18)26-23-27-21(16-30-23)14-22(29)25-20-10-12-28(13-11-20)15-17-4-2-1-3-5-17/h1-9,16,20H,10-15H2,(H,25,29)(H,26,27)
InChIKeyUIAARDMPVKYGAR-UHFFFAOYSA-N
XLogP4.35
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide (CID 27377901) is N-(1-benzylpiperidin-4-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(Nc2ccc(F)cc2)n1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?
The InChIKey is UIAARDMPVKYGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4OS/c24-18-6-8-19(9-7-18)26-23-27-21(16-30-23)14-22(29)25-20-10-12-28(13-11-20)15-17-4-2-1-3-5-17/h1-9,16,20H,10-15H2,(H,25,29)(H,26,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?
N-(1-benzylpiperidin-4-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide has a molecular weight of 424.55 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 27377901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).