N-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C20H24FN3OS — CID 129251562

IUPACN-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3ccc(CCF)cc3)CC2)s1
InChIInChI=1S/C20H24FN3OS/c1-15(25)23-20-22-13-19(26-20)14-24-10-7-18(8-11-24)12-17-4-2-16(3-5-17)6-9-21/h2-5,12-13H,6-11,14H2,1H3,(H,22,23,25)
InChIKeyDQAMACHWKUSKPM-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.29
Rot. Bonds6

About N-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 129251562) has the molecular formula C20H24FN3OS and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID129251562
Molecular FormulaC20H24FN3OS
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC NameN-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3ccc(CCF)cc3)CC2)s1
InChIInChI=1S/C20H24FN3OS/c1-15(25)23-20-22-13-19(26-20)14-24-10-7-18(8-11-24)12-17-4-2-16(3-5-17)6-9-21/h2-5,12-13H,6-11,14H2,1H3,(H,22,23,25)
InChIKeyDQAMACHWKUSKPM-UHFFFAOYSA-N
XLogP4.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 129251562) is N-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(=Cc3ccc(CCF)cc3)CC2)s1.
What is the InChIKey of N-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is DQAMACHWKUSKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3OS/c1-15(25)23-20-22-13-19(26-20)14-24-10-7-18(8-11-24)12-17-4-2-16(3-5-17)6-9-21/h2-5,12-13H,6-11,14H2,1H3,(H,22,23,25).
What are the key properties of N-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[[4-(2-fluoroethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 129251562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).