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

C19H22FN3OS — CID 129251519

IUPACN-[5-[[4-[[4-(fluoromethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3ccc(CF)cc3)CC2)s1
InChIInChI=1S/C19H22FN3OS/c1-14(24)22-19-21-12-18(25-19)13-23-8-6-16(7-9-23)10-15-2-4-17(11-20)5-3-15/h2-5,10,12H,6-9,11,13H2,1H3,(H,21,22,24)
InChIKeyPHUIBOICCYRVGV-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.25
Rot. Bonds5

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

N-[5-[[4-[[4-(fluoromethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 129251519) has the molecular formula C19H22FN3OS and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[5-[[4-[[4-(fluoromethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-[[4-(fluoromethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID129251519
Molecular FormulaC19H22FN3OS
Molecular Weight359.47 g/mol
Exact Mass359.15
IUPAC NameN-[5-[[4-[[4-(fluoromethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3ccc(CF)cc3)CC2)s1
InChIInChI=1S/C19H22FN3OS/c1-14(24)22-19-21-12-18(25-19)13-23-8-6-16(7-9-23)10-15-2-4-17(11-20)5-3-15/h2-5,10,12H,6-9,11,13H2,1H3,(H,21,22,24)
InChIKeyPHUIBOICCYRVGV-UHFFFAOYSA-N
XLogP4.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[4-(1H-pyrazol-4-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 129251536
N-[5-[[(2R,4E)-4-[(4-methoxyphenyl)methylidene]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 129251662
N-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 71308050
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 163368401
N-[5-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491268
N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-4-propan-2-ylphenyl]acetamide
CID 170668063
N-[5-[[3-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 175123965
N-[5-[[(3S)-3-[1-(5-fluoropyrimidin-2-yl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 175124459
N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)methoxy]azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 155103918
N-[5-[[(3S)-3-fluoro-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491169
methyl N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamate
CID 1258070
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(1H-benzimidazol-2-yl)acetamide
CID 163368413

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[[4-(fluoromethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-[[4-(fluoromethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 129251519) is N-[5-[[4-[[4-(fluoromethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-[[4-(fluoromethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-[[4-(fluoromethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(=Cc3ccc(CF)cc3)CC2)s1.
What is the InChIKey of N-[5-[[4-[[4-(fluoromethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is PHUIBOICCYRVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3OS/c1-14(24)22-19-21-12-18(25-19)13-23-8-6-16(7-9-23)10-15-2-4-17(11-20)5-3-15/h2-5,10,12H,6-9,11,13H2,1H3,(H,21,22,24).
What are the key properties of N-[5-[[4-[[4-(fluoromethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-[[4-(fluoromethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 359.47 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[[4-(fluoromethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 129251519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).