N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide

C22H27FN4OS — CID 45175404

IUPACN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide
SMILESCN(CC1CCCN(CCc2ccc(F)cc2)C1)C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C22H27FN4OS/c1-25(21(28)13-20-16-27-11-12-29-22(27)24-20)14-18-3-2-9-26(15-18)10-8-17-4-6-19(23)7-5-17/h4-7,11-12,16,18H,2-3,8-10,13-15H2,1H3
InChIKeyABXWNVUPFXNKNI-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.49
Rot. Bonds7

About N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide

N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide (PubChem CID 45175404) has the molecular formula C22H27FN4OS and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide.

Molecular Properties

Compound NameN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide
PubChem CID45175404
Molecular FormulaC22H27FN4OS
Molecular Weight414.55 g/mol
Exact Mass414.19
IUPAC NameN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide
SMILESCN(CC1CCCN(CCc2ccc(F)cc2)C1)C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C22H27FN4OS/c1-25(21(28)13-20-16-27-11-12-29-22(27)24-20)14-18-3-2-9-26(15-18)10-8-17-4-6-19(23)7-5-17/h4-7,11-12,16,18H,2-3,8-10,13-15H2,1H3
InChIKeyABXWNVUPFXNKNI-UHFFFAOYSA-N
XLogP3.49
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 42404091
N'-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N'-methylbutanediamide
CID 23723218
N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 42212910
3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide
CID 42402093
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide
CID 45179371
1-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methyl-3-propylurea
CID 25448302
N-[(2-hydroxycyclohexyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide
CID 110003774
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 45191583
4-chloro-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 97270147
N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclobutanamine
CID 26392696
methyl 2-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylcarbamoyl]benzoate
CID 25369950
2-(1H-imidazol-5-yl)-N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide
CID 97268630

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide?
The IUPAC name of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide (CID 45175404) is N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide.
What is the SMILES notation for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide?
The canonical SMILES for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide is CN(CC1CCCN(CCc2ccc(F)cc2)C1)C(=O)Cc1cn2ccsc2n1.
What is the InChIKey of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide?
The InChIKey is ABXWNVUPFXNKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4OS/c1-25(21(28)13-20-16-27-11-12-29-22(27)24-20)14-18-3-2-9-26(15-18)10-8-17-4-6-19(23)7-5-17/h4-7,11-12,16,18H,2-3,8-10,13-15H2,1H3.
What are the key properties of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide?
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide has a molecular weight of 414.55 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide is sourced from PubChem (CID 45175404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).